 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer05_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer05_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-132025.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    132026.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer05_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer05_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.727796000000     -0.617339000000      0.237443000000
  C                                                -1.047841000000      0.762202000000      0.064823000000
  C                                                 0.627887000000     -0.997107000000      0.390677000000
  C                                                 1.641753000000     -0.071739000000      0.382480000000
  C                                                 1.312923000000      1.298898000000      0.205310000000
  C                                                 0.016715000000      1.701054000000      0.052033000000
  C                                                -1.782544000000     -1.552555000000      0.250244000000
  H                                                 0.857810000000     -2.048331000000      0.527327000000
  H                                                 2.108133000000      2.033573000000      0.183762000000
  H                                                -0.215213000000      2.749911000000     -0.085402000000
  C                                                 3.088117000000     -0.486534000000      0.541414000000
  C                                                 3.760195000000      0.119636000000      1.772964000000
  C                                                 3.907138000000     -0.206580000000     -0.726372000000
  H                                                 3.106030000000     -1.577976000000      0.640536000000
  H                                                 4.789633000000     -0.224249000000      1.852177000000
  H                                                 3.214668000000     -0.166664000000      2.672170000000
  H                                                 3.778918000000      1.207660000000      1.714101000000
  O                                                 5.045903000000      0.164513000000     -0.727103000000
  O                                                 3.268617000000     -0.457965000000     -1.892789000000
  H                                                 2.337352000000     -0.661890000000     -1.716441000000
  C                                                -3.089131000000     -1.160241000000      0.100164000000
  C                                                -3.400222000000      0.208007000000     -0.071750000000
  C                                                -2.391569000000      1.146742000000     -0.088108000000
  O                                                -4.667929000000      0.674281000000     -0.226734000000
  C                                                -5.743851000000     -0.249462000000     -0.217471000000
  H                                                -1.551187000000     -2.602541000000      0.381883000000
  H                                                -3.872302000000     -1.903057000000      0.114825000000
  H                                                -2.648333000000      2.189617000000     -0.220665000000
  H                                                -5.805340000000     -0.783207000000      0.735107000000
  H                                                -5.658506000000     -0.971988000000     -1.034008000000
  H                                                -6.645040000000      0.342621000000     -0.355471000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.426660   0.000000
     3  C    1.416185   2.451410   0.000000
     4  C    2.435873   2.833775   1.372697   0.000000
     5  C    2.799559   2.425074   2.403180   1.420621   0.000000
     6  C    2.442052   1.419467   2.787164   2.427496   1.365789
     7  C    1.409711   2.435625   2.477584   3.733110   4.208886
     8  H    2.155439   3.427027   1.084716   2.131306   3.393341
     9  H    3.882359   3.404512   3.379196   2.165488   1.082853
    10  H    3.421307   2.160283   3.870092   3.410124   2.127240
    11  C    3.830235   4.346565   2.517169   1.513038   2.540088
    12  C    4.800315   5.142747   3.601276   2.541233   3.136453
    13  C    4.751871   5.110415   3.553339   2.525808   3.140772
    14  H    3.972849   4.802346   2.557544   2.116471   3.417756
    15  H    5.762283   6.184159   4.478105   3.477415   4.137591
    16  H    4.655537   5.082326   3.547715   2.779524   3.442369
    17  H    5.081497   5.120171   4.067118   2.824456   2.892388
    18  O    5.905696   6.173985   4.702941   3.588207   4.011404
    19  O    4.531512   4.894166   3.532470   2.823598   3.363529
    20  H    3.635214   4.081724   2.733969   2.288582   2.930405
    21  C    2.426827   2.804265   3.731921   4.862695   5.043461
    22  C    2.814011   2.420636   4.229870   5.070118   4.845672
    23  C    2.446652   1.406010   3.733957   4.239556   3.719208
    24  O    4.172336   3.632874   5.587522   6.382772   6.028880
    25  C    5.050058   4.812033   6.444212   7.412063   7.237004
    26  H    2.154034   3.416925   2.706632   4.074288   4.843091
    27  H    3.399415   3.883772   4.598754   5.816371   6.094855
    28  H    3.431811   2.163467   4.611135   4.886957   4.082448
    29  H    5.104570   5.046917   6.445991   7.489307   7.435423
    30  H    5.104338   5.047086   6.445859   7.490705   7.435970
    31  H    6.023856   5.628617   7.432838   8.329898   8.034807
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723250   0.000000
     8  H    3.871851   2.700748   0.000000
     9  H    2.121780   5.291701   4.282906   0.000000
    10  H    1.082950   4.591339   4.954790   2.446125   0.000000
    11  C    3.802439   4.994449   2.722807   2.727494   4.666847
    12  C    4.413177   5.986389   3.830866   2.986307   5.116223
    13  C    4.402314   5.927724   3.776534   3.013810   5.113263
    14  H    4.543373   4.904195   2.299683   3.774616   5.503476
    15  H    5.452344   6.893772   4.532299   3.882243   6.135823
    16  H    4.536562   5.723508   3.700784   3.501091   5.279649
    17  H    4.142473   6.378991   4.532415   2.411554   4.644333
    18  O    5.316083   7.108531   4.900040   3.599104   5.897067
    19  O    4.361028   5.595082   3.768052   3.444786   5.068943
    20  H    3.754512   4.651309   3.024195   3.305879   4.562484
    21  C    4.223222   1.372444   4.068110   6.100737   4.856246
    22  C    3.730948   2.412497   4.856006   5.808610   4.075015
    23  C    2.475224   2.787759   4.598447   4.594312   2.703088
    24  O    4.803942   3.675834   6.206047   6.923236   4.914763
    25  C    6.087796   4.196280   6.882774   8.186995   6.291226
    26  H    4.592172   1.083201   2.476201   5.909605   5.536418
    27  H    5.302642   2.123271   4.750287   7.160126   5.921529
    28  H    2.723149   3.869780   5.550922   4.776178   2.500460
    29  H    6.366668   4.124303   6.785372   8.417915   6.663759
    30  H    6.366535   4.124251   6.786653   8.416474   6.661968
    31  H    6.811048   5.253803   7.923935   8.931300   6.871001
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528348   0.000000
    13  C    1.535074   2.524815   0.000000
    14  H    1.096080   2.142945   2.095457   0.000000
    15  H    2.163804   1.088244   2.725440   2.476927   0.000000
    16  H    2.158345   1.090018   3.468601   2.476114   1.776575
    17  H    2.173176   1.089776   2.823548   3.060243   1.758116
    18  O    2.421967   2.811653   1.197705   2.944454   2.620972
    19  O    2.441053   3.743396   1.353304   2.774634   4.048813
    20  H    2.385856   3.848534   1.910961   2.642995   4.352039
    21  C    6.229525   7.165864   7.109178   6.232698   8.125303
    22  C    6.554151   7.394752   7.348328   6.784423   8.423898
    23  C    5.752464   6.508666   6.473992   6.178884   7.563993
    24  O    7.879961   8.679844   8.634659   8.139979   9.724953
    25  C    8.867681   9.717250   9.664492   8.990079  10.734913
    26  H    5.101576   6.128306   6.063182   4.775595   6.929938
    27  H    7.115894   8.068192   8.006581   7.005653   8.992547
    28  H    6.375689   7.023433   6.997978   6.931747   8.089917
    29  H    8.900512   9.663940   9.838732   8.947241  10.668352
    30  H    8.900620   9.888512   9.601148   8.943624  10.865210
    31  H    9.809498  10.623035  10.572968   9.988197  11.659623
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767778   0.000000
    18  O    3.875327   2.941578   0.000000
    19  O    4.574562   4.005542   2.214734   0.000000
    20  H    4.502759   4.164366   2.999663   0.969504   0.000000
    21  C    6.880428   7.441898   8.283606   6.699702   5.744138
    22  C    7.171209   7.465160   8.471624   6.945007   6.031707
    23  C    6.385457   6.428575   7.529215   6.153833   5.318394
    24  O    8.440745   8.683349   9.740060   8.188192   7.285502
    25  C    9.413392   9.825340  10.809713   9.169228   8.229389
    26  H    5.821708   6.685990   7.239339   5.744898   4.825953
    27  H    7.731767   8.412812   9.193371   7.557217   6.591952
    28  H    6.949485   6.783592   7.972377   6.694474   5.935107
    29  H    9.246236   9.837682  10.990255   9.452424   8.504601
    30  H    9.649742  10.068165  10.768946   8.983053   8.030917
    31  H   10.326656  10.662566  11.698204  10.064039   9.140276
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.413660   0.000000
    23  C    2.417480   1.377996   0.000000
    24  O    2.442322   1.359600   2.329002   0.000000
    25  C    2.824526   2.392302   3.633719   1.418096   0.000000
    26  H    2.127173   3.394686   3.870950   4.563119   4.845063
    27  H    1.079513   2.171235   3.396325   2.718889   2.519423
    28  H    3.393933   2.124686   1.082168   2.524886   3.940983
    29  H    2.814800   2.723622   4.007021   2.084014   1.093650
    30  H    2.814866   2.723633   4.007071   2.084019   1.093645
    31  H    3.887247   3.259979   4.337062   2.008865   1.087082
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438888   0.000000
    28  H    4.952936   4.284931   0.000000
    29  H    4.640319   2.318502   4.440481   0.000000
    30  H    4.640422   2.318886   4.440542   1.785208   0.000000
    31  H    5.930009   3.598934   4.404910   1.778186   1.778162
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.46D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.727796   -0.617339    0.237443
      2          6           0       -1.047841    0.762202    0.064823
      3          6           0        0.627887   -0.997107    0.390677
      4          6           0        1.641753   -0.071739    0.382480
      5          6           0        1.312923    1.298898    0.205310
      6          6           0        0.016715    1.701054    0.052033
      7          6           0       -1.782544   -1.552555    0.250244
      8          1           0        0.857810   -2.048331    0.527327
      9          1           0        2.108133    2.033573    0.183762
     10          1           0       -0.215213    2.749911   -0.085402
     11          6           0        3.088117   -0.486534    0.541414
     12          6           0        3.760195    0.119636    1.772964
     13          6           0        3.907138   -0.206580   -0.726372
     14          1           0        3.106030   -1.577976    0.640536
     15          1           0        4.789633   -0.224249    1.852177
     16          1           0        3.214668   -0.166664    2.672170
     17          1           0        3.778918    1.207660    1.714101
     18          8           0        5.045903    0.164513   -0.727103
     19          8           0        3.268617   -0.457965   -1.892789
     20          1           0        2.337352   -0.661890   -1.716441
     21          6           0       -3.089131   -1.160241    0.100164
     22          6           0       -3.400222    0.208007   -0.071750
     23          6           0       -2.391569    1.146742   -0.088108
     24          8           0       -4.667929    0.674281   -0.226734
     25          6           0       -5.743851   -0.249462   -0.217471
     26          1           0       -1.551187   -2.602541    0.381883
     27          1           0       -3.872302   -1.903057    0.114825
     28          1           0       -2.648333    2.189617   -0.220665
     29          1           0       -5.805340   -0.783207    0.735107
     30          1           0       -5.658506   -0.971988   -1.034008
     31          1           0       -6.645040    0.342621   -0.355471
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.5217567           0.1966021           0.1926148
 Leave Link  202 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1131.8048366253 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210183882 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1131.7838182372 Hartrees.
 Leave Link  301 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.17D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   492   492   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:36:18 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer05_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:36:19 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.835654695167    
 DIIS: error= 4.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.835654695167     IErMin= 1 ErrMin= 4.72D-03
 ErrMax= 4.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-02 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.53D-01 WtEn= 4.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.294 Goal=   None    Shift=    0.000
 GapD=    0.294 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.95D-03 MaxDP=4.60D-01              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.94D-03    CP:  9.85D-01
 E= -766.851399411068     Delta-E=       -0.015744715901 Rises=F Damp=F
 DIIS: error= 6.72D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.851399411068     IErMin= 2 ErrMin= 6.72D-04
 ErrMax= 6.72D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.64D-04 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.72D-03
 Coeff-Com: -0.474D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.471D-03 0.100D+01
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=1.27D-03 MaxDP=8.58D-02 DE=-1.57D-02 OVMax= 7.80D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.73D-04    CP:  1.01D+00  1.08D+00
 E= -766.851925522158     Delta-E=       -0.000526111090 Rises=F Damp=F
 DIIS: error= 7.08D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.851925522158     IErMin= 2 ErrMin= 6.72D-04
 ErrMax= 7.08D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.65D-04 BMatP= 6.64D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.08D-03
 Coeff-Com: -0.452D-01 0.489D+00 0.557D+00
 Coeff-En:   0.000D+00 0.941D-01 0.906D+00
 Coeff:     -0.449D-01 0.486D+00 0.559D+00
 Gap=     0.295 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=5.42D-03 DE=-5.26D-04 OVMax= 2.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.21D-04    CP:  1.01D+00  1.09D+00  1.04D+00
 E= -766.852312837618     Delta-E=       -0.000387315460 Rises=F Damp=F
 DIIS: error= 1.11D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.852312837618     IErMin= 4 ErrMin= 1.11D-04
 ErrMax= 1.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-05 BMatP= 5.65D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.11D-03
 Coeff-Com: -0.153D-01 0.889D-01 0.178D+00 0.748D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.153D-01 0.888D-01 0.178D+00 0.748D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=7.29D-05 MaxDP=2.73D-03 DE=-3.87D-04 OVMax= 9.54D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.64D-05    CP:  1.01D+00  1.09D+00  1.07D+00  1.17D+00
 E= -766.852331497885     Delta-E=       -0.000018660267 Rises=F Damp=F
 DIIS: error= 4.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.852331497885     IErMin= 5 ErrMin= 4.35D-05
 ErrMax= 4.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-06 BMatP= 1.88D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.343D-01-0.282D-01 0.233D+00 0.828D+00
 Coeff:      0.108D-02-0.343D-01-0.282D-01 0.233D+00 0.828D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=1.18D-03 DE=-1.87D-05 OVMax= 5.69D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.91D-05    CP:  1.01D+00  1.09D+00  1.09D+00  1.21D+00  9.55D-01
 E= -766.852334605155     Delta-E=       -0.000003107270 Rises=F Damp=F
 DIIS: error= 1.34D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.852334605155     IErMin= 6 ErrMin= 1.34D-05
 ErrMax= 1.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-07 BMatP= 2.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.125D-02-0.186D-01-0.210D-01 0.569D-01 0.332D+00 0.649D+00
 Coeff:      0.125D-02-0.186D-01-0.210D-01 0.569D-01 0.332D+00 0.649D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=6.63D-06 MaxDP=3.58D-04 DE=-3.11D-06 OVMax= 1.63D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.10D-06    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  9.94D-01
                    CP:  9.71D-01
 E= -766.852334904734     Delta-E=       -0.000000299580 Rises=F Damp=F
 DIIS: error= 5.38D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.852334904734     IErMin= 7 ErrMin= 5.38D-06
 ErrMax= 5.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-08 BMatP= 2.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.380D-03-0.225D-02-0.442D-02-0.179D-01-0.557D-02 0.294D+00
 Coeff-Com:  0.736D+00
 Coeff:      0.380D-03-0.225D-02-0.442D-02-0.179D-01-0.557D-02 0.294D+00
 Coeff:      0.736D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=3.36D-06 MaxDP=1.79D-04 DE=-3.00D-07 OVMax= 1.16D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.16D-06    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.00D+00
                    CP:  1.01D+00  1.26D+00
 E= -766.852334992641     Delta-E=       -0.000000087907 Rises=F Damp=F
 DIIS: error= 2.51D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.852334992641     IErMin= 8 ErrMin= 2.51D-06
 ErrMax= 2.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.03D-09 BMatP= 5.50D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.876D-04 0.250D-02 0.246D-02-0.151D-01-0.599D-01-0.347D-01
 Coeff-Com:  0.234D+00 0.871D+00
 Coeff:     -0.876D-04 0.250D-02 0.246D-02-0.151D-01-0.599D-01-0.347D-01
 Coeff:      0.234D+00 0.871D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=1.36D-06 MaxDP=6.03D-05 DE=-8.79D-08 OVMax= 7.47D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.33D-07    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.00D+00
                    CP:  1.04D+00  1.33D+00  1.19D+00
 E= -766.852335008531     Delta-E=       -0.000000015890 Rises=F Damp=F
 DIIS: error= 1.18D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.852335008531     IErMin= 9 ErrMin= 1.18D-06
 ErrMax= 1.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-09 BMatP= 7.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.891D-04 0.139D-02 0.171D-02-0.409D-02-0.253D-01-0.605D-01
 Coeff-Com: -0.171D-02 0.404D+00 0.684D+00
 Coeff:     -0.891D-04 0.139D-02 0.171D-02-0.409D-02-0.253D-01-0.605D-01
 Coeff:     -0.171D-02 0.404D+00 0.684D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=4.73D-07 MaxDP=1.65D-05 DE=-1.59D-08 OVMax= 2.35D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.37D-07    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.01D+00
                    CP:  1.04D+00  1.38D+00  1.22D+00  1.10D+00
 E= -766.852335010912     Delta-E=       -0.000000002381 Rises=F Damp=F
 DIIS: error= 2.88D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.852335010912     IErMin=10 ErrMin= 2.88D-07
 ErrMax= 2.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.85D-11 BMatP= 1.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.132D-04 0.466D-04 0.120D-03 0.872D-03 0.113D-02-0.973D-02
 Coeff-Com: -0.305D-01-0.151D-01 0.143D+00 0.911D+00
 Coeff:     -0.132D-04 0.466D-04 0.120D-03 0.872D-03 0.113D-02-0.973D-02
 Coeff:     -0.305D-01-0.151D-01 0.143D+00 0.911D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=1.97D-07 MaxDP=7.23D-06 DE=-2.38D-09 OVMax= 9.52D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.28D-07    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.00D+00
                    CP:  1.03D+00  1.39D+00  1.25D+00  1.16D+00  1.16D+00
 E= -766.852335011169     Delta-E=       -0.000000000257 Rises=F Damp=F
 DIIS: error= 1.13D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.852335011169     IErMin=11 ErrMin= 1.13D-07
 ErrMax= 1.13D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-11 BMatP= 8.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.892D-05-0.203D-03-0.228D-03 0.104D-02 0.445D-02 0.513D-02
 Coeff-Com: -0.131D-01-0.660D-01-0.427D-01 0.394D+00 0.718D+00
 Coeff:      0.892D-05-0.203D-03-0.228D-03 0.104D-02 0.445D-02 0.513D-02
 Coeff:     -0.131D-01-0.660D-01-0.427D-01 0.394D+00 0.718D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=6.73D-08 MaxDP=2.71D-06 DE=-2.57D-10 OVMax= 2.77D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.56D-08    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.00D+00
                    CP:  1.03D+00  1.39D+00  1.26D+00  1.18D+00  1.23D+00
                    CP:  1.06D+00
 E= -766.852335011171     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.52D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.852335011171     IErMin=12 ErrMin= 3.52D-08
 ErrMax= 3.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-12 BMatP= 2.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.368D-05-0.587D-04-0.729D-04 0.183D-03 0.102D-02 0.257D-02
 Coeff-Com:  0.633D-04-0.151D-01-0.293D-01-0.380D-02 0.186D+00 0.858D+00
 Coeff:      0.368D-05-0.587D-04-0.729D-04 0.183D-03 0.102D-02 0.257D-02
 Coeff:      0.633D-04-0.151D-01-0.293D-01-0.380D-02 0.186D+00 0.858D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=2.48D-08 MaxDP=1.61D-06 DE=-1.59D-12 OVMax= 8.71D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.76D-08    CP:  1.01D+00  1.09D+00  1.09D+00  1.22D+00  1.00D+00
                    CP:  1.03D+00  1.39D+00  1.26D+00  1.18D+00  1.26D+00
                    CP:  1.15D+00  1.07D+00
 E= -766.852335011264     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 1.66D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.852335011264     IErMin=13 ErrMin= 1.66D-08
 ErrMax= 1.66D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-13 BMatP= 1.54D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.441D-06-0.497D-06-0.251D-05-0.363D-04-0.843D-04 0.420D-03
 Coeff-Com:  0.123D-02 0.156D-02-0.619D-02-0.409D-01-0.143D-01 0.301D+00
 Coeff-Com:  0.758D+00
 Coeff:      0.441D-06-0.497D-06-0.251D-05-0.363D-04-0.843D-04 0.420D-03
 Coeff:      0.123D-02 0.156D-02-0.619D-02-0.409D-01-0.143D-01 0.301D+00
 Coeff:      0.758D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=9.38D-09 MaxDP=4.70D-07 DE=-9.30D-11 OVMax= 3.31D-07

 SCF Done:  E(RwB97XD) =  -766.852335011     A.U. after   13 cycles
            NFock= 13  Conv=0.94D-08     -V/T= 2.0108
 KE= 7.586745631462D+02 PE=-4.045795794817D+03 EE= 1.388485078422D+03
 Leave Link  502 at Thu Aug 12 22:40:42 2021, MaxMem=  5368709120 cpu:            2097.6 elap:             262.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.60894241D+02

 Leave Link  801 at Thu Aug 12 22:40:42 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9498 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.17D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.11D-01 9.30D-02.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.95D-02 1.33D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 8.05D-03 3.88D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.84D-03 1.22D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.56D-04 2.68D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.61D-05 6.38D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 8.75D-07 1.15D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 3.85D-08 3.19D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 1.18D-09 6.14D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.51D-11 9.58D-07.
      7 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.62D-12 1.77D-07.
      6 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 9.50D-14 3.51D-08.
      2 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 4.02D-14 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.307086D+03
      2  0.145525D+02  0.166637D+03
      3  0.116369D+02 -0.382515D+01  0.118850D+03
 Isotropic polarizability for W=    0.088559      197.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.339552D+03 -0.938730D+01 -0.467594D+02
      2   0.137646D+03  0.150559D+02 -0.554543D+01
      3   0.201905D+03 -0.566855D+01  0.523048D+02
      4  -0.163800D+02 -0.140932D+03  0.221137D+02
      5   0.299389D+02  0.207280D+02  0.645744D+02
      6   0.543237D+01  0.446142D+02 -0.235422D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.815163D+01  0.266792D+02  0.662331D+01
      2  -0.465750D+02  0.992544D+01  0.269883D+02
      3   0.883999D+01  0.575841D+02 -0.706480D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.138571D+01  0.501596D+02  0.178737D+02
      2  -0.766983D+02  0.166814D+02 -0.137331D+03
      3  -0.699267D+01  0.278578D+03 -0.152957D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.108389D+01  0.165663D+01 -0.250570D+01
      2   0.165663D+01 -0.343787D+01 -0.348721D+01
      3  -0.250570D+01 -0.348721D+01 -0.293701D+01
 OR G Eigenvalues:    -6.7209    -2.2678     3.6977  Iso=     1.7637
 Eigenvectors:
   (1)   0.075177   0.707966   0.702234
   (2)   0.654437  -0.566372   0.500935
   (3)   0.752370   0.421909  -0.505897
 w=    0.088559 a.u., Optical Rotation Beta=      1.7637 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      388.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.74D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.38D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.14D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 5.57D-02 5.90D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 6.27D-03 2.00D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.16D-04 2.02D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 5.93D-06 3.20D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.38D-07 3.88D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.63D-09 5.14D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.28D-11 6.33D-07.
     29 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 4.01D-13 6.09D-08.
      9 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 1.40D-14 8.25D-09.
      7 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 3.35D-14 9.89D-09.
      3 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 1.28D-14 6.58D-09.
      2 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 3.50D-15 4.42D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   290 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.43D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.43D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307086D+03  0.145525D+02  0.116369D+02
      2   0.145525D+02  0.166637D+03 -0.382515D+01
      3   0.116369D+02 -0.382515D+01  0.118850D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.815163D+01  0.266792D+02  0.662331D+01
      2  -0.465750D+02  0.992544D+01  0.269883D+02
      3   0.883999D+01  0.575841D+02 -0.706480D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.339552D+03 -0.938730D+01 -0.467594D+02
      2   0.137646D+03  0.150559D+02 -0.554543D+01
      3   0.201905D+03 -0.566855D+01  0.523048D+02
      4  -0.163800D+02 -0.140932D+03  0.221137D+02
      5   0.299389D+02  0.207280D+02  0.645744D+02
      6   0.543237D+01  0.446142D+02 -0.235422D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.388013D+02  0.814390D+01  0.143163D+01 -0.487267D+02 -0.479907D+01
      2   0.814390D+01  0.357550D+01  0.282962D+00 -0.479907D+01 -0.531362D+01
      3   0.143163D+01  0.282962D+00 -0.433357D+00 -0.274691D+01  0.120231D+00
                 6             7             8             9            10 
      1  -0.274691D+01  0.774767D+01  0.125672D+01  0.179853D+01 -0.298217D+02
      2   0.120231D+00  0.125672D+01  0.649384D+00 -0.904119D+00 -0.626127D+01
      3  -0.208042D+00  0.179853D+01 -0.904119D+00  0.402976D+00 -0.967942D+00
                11            12            13            14            15 
      1  -0.626127D+01 -0.967942D+00  0.525335D+02  0.589955D+01  0.307476D+01
      2  -0.666220D+00 -0.291383D+00  0.589955D+01  0.624131D+01 -0.451363D-01
      3  -0.291383D+00 -0.224242D+00  0.307476D+01 -0.451363D-01  0.761487D-01
                16            17            18            19            20 
      1  -0.786738D+01 -0.122328D+01 -0.973984D+00 -0.518478D+02 -0.101971D+02
      2  -0.122328D+01 -0.563156D+00  0.858891D+00 -0.101971D+02 -0.968474D+01
      3  -0.973984D+00  0.858891D+00 -0.188365D+00 -0.135814D+01  0.398356D+00
                21            22            23            24            25 
      1  -0.135814D+01 -0.153481D+02 -0.176749D+01  0.202765D+00 -0.235967D+01
      2   0.398356D+00 -0.176749D+01 -0.483706D+01 -0.521783D+00  0.283880D+00
      3  -0.599360D+00  0.202765D+00 -0.521783D+00 -0.200321D+01  0.524233D+00
                26            27            28            29            30 
      1   0.283880D+00  0.524233D+00  0.498105D+02  0.404935D+01  0.115214D+01
      2  -0.123382D+01 -0.393915D+01  0.404935D+01  0.604704D+01  0.317827D-02
      3  -0.393915D+01  0.114808D+01  0.115214D+01  0.317827D-02  0.222219D+01
                31            32            33            34            35 
      1   0.207808D+01  0.348826D+01  0.585733D+00  0.201090D+00  0.733988D+00
      2   0.348826D+01  0.148535D+02 -0.766812D+00  0.733988D+00 -0.287080D+00
      3   0.585733D+00 -0.766812D+00  0.419247D+00  0.652891D+01  0.790144D+00
                36            37            38            39            40 
      1   0.652891D+01  0.934277D+01 -0.156951D+01  0.526488D+00  0.884790D+01
      2   0.790144D+00 -0.156951D+01  0.121342D+02 -0.105177D+01  0.125091D+01
      3   0.758855D+00  0.526488D+00 -0.105177D+01  0.181157D+01  0.419288D+00
                41            42            43            44            45 
      1   0.125091D+01  0.419288D+00  0.878839D-02  0.162405D+00  0.473138D+01
      2  -0.929539D+01  0.121902D+01  0.162405D+00  0.243653D+01  0.159892D+01
      3   0.121902D+01  0.958744D+00  0.473138D+01  0.159892D+01  0.701266D+00
                46            47            48            49            50 
      1  -0.131537D+02  0.273378D+01 -0.146058D+01  0.126266D+01  0.230357D+01
      2   0.273378D+01 -0.870508D+01  0.310677D+00  0.230357D+01  0.887537D+00
      3  -0.146058D+01  0.310677D+00 -0.105344D+01 -0.316143D+00  0.782667D+00
                51            52            53            54            55 
      1  -0.316143D+00 -0.111241D+01 -0.646332D+00 -0.103095D+01  0.339228D+01
      2   0.782667D+00 -0.646332D+00  0.174959D+00  0.440945D+01 -0.374693D+01
      3   0.134629D+01 -0.103095D+01  0.440945D+01 -0.123486D+01  0.675602D+00
                56            57            58            59            60 
      1  -0.374693D+01  0.675602D+00 -0.294045D+01 -0.376481D+01  0.371957D+00
      2   0.617473D+01 -0.548277D+00 -0.376481D+01 -0.243270D+01 -0.630812D+00
      3  -0.548277D+00  0.155273D+01  0.371957D+00 -0.630812D+00 -0.129003D+01
                61            62            63            64            65 
      1   0.672989D+00  0.456996D+00 -0.833072D-01  0.461708D+00 -0.195391D+01
      2   0.456996D+00 -0.161912D+00 -0.425951D+01 -0.195391D+01  0.101866D+01
      3  -0.833072D-01 -0.425951D+01  0.125573D+01  0.273299D+00 -0.266897D+00
                66            67            68            69            70 
      1   0.273299D+00 -0.208006D+01  0.250825D+01 -0.446484D+00  0.428914D+00
      2  -0.266897D+00  0.250825D+01 -0.756974D+01  0.107775D+01 -0.509816D+00
      3   0.150850D+00 -0.446484D+00  0.107775D+01 -0.973668D+00  0.177136D-01
                71            72            73            74            75 
      1  -0.509816D+00  0.177136D-01  0.656005D+01  0.315685D+01  0.132229D+00
      2   0.101493D+01 -0.191720D+00  0.315685D+01  0.272956D+01 -0.177502D-03
      3  -0.191720D+00  0.202001D+00  0.132229D+00 -0.177502D-03  0.547568D+00
                76            77            78            79            80 
      1   0.441602D+01  0.396054D+01 -0.405638D-01 -0.793063D-01 -0.319359D+00
      2   0.396054D+01  0.409952D+01 -0.103200D-01 -0.319359D+00 -0.270860D+00
      3  -0.405638D-01 -0.103200D-01  0.662301D+00 -0.456430D+00  0.280238D+00
                81            82            83            84            85 
      1  -0.456430D+00 -0.692670D+00  0.137007D+01 -0.207055D+00  0.611908D+00
      2   0.280238D+00  0.137007D+01 -0.149717D+01  0.238085D+00 -0.636508D+00
      3  -0.212832D+00 -0.207055D+00  0.238085D+00 -0.159332D+00  0.465868D-01
                86            87            88            89            90 
      1  -0.636508D+00  0.465868D-01 -0.237429D+00  0.219889D+00  0.125328D+00
      2   0.105361D+02 -0.101597D+01  0.219889D+00 -0.127878D+01  0.252289D+00
      3  -0.101597D+01  0.103726D+01  0.125328D+00  0.252289D+00 -0.142005D+00
                91            92            93            94            95 
      1  -0.165487D+02 -0.172166D+01  0.558054D-01 -0.621632D+00 -0.188011D+00
      2  -0.172166D+01  0.335641D+00 -0.576706D+00 -0.188011D+00  0.479586D+01
      3   0.558054D-01 -0.576706D+00 -0.323954D+01 -0.197388D+01 -0.823721D+00
                96            97            98            99           100 
      1  -0.197388D+01  0.559106D+00 -0.143835D+01 -0.742816D+01 -0.549896D+01
      2  -0.823721D+00 -0.143835D+01 -0.548417D+00 -0.881266D+00  0.265075D+01
      3  -0.737321D+00 -0.742816D+01 -0.881266D+00  0.282652D+00 -0.145137D+01
               101           102           103           104           105 
      1   0.265075D+01 -0.145137D+01  0.693068D+01 -0.140181D+00  0.158020D+01
      2  -0.497925D+00  0.264522D+00 -0.140181D+00 -0.463774D+01 -0.554772D-01
      3   0.264522D+00  0.360062D+01  0.158020D+01 -0.554772D-01  0.244260D+01
               106           107           108           109           110 
      1   0.401936D+01  0.101217D+01  0.530098D+01 -0.757605D+01 -0.160790D+01
      2   0.101217D+01  0.505390D+00  0.189317D+01 -0.160790D+01 -0.458686D+00
      3   0.530098D+01  0.189317D+01 -0.452999D+00  0.376297D+00  0.487153D+00
               111           112           113           114           115 
      1   0.376297D+00 -0.208578D+01 -0.256894D+00  0.123892D+01 -0.714371D+01
      2   0.487153D+00 -0.256894D+00 -0.100919D+01 -0.985139D-01  0.551817D+00
      3   0.976040D+00  0.123892D+01 -0.985139D-01  0.445068D+00  0.413815D+01
               116           117           118           119           120 
      1   0.551817D+00  0.413815D+01 -0.155747D+01 -0.101377D+01  0.934314D-01
      2  -0.662685D+00  0.306601D+00 -0.101377D+01  0.395055D+00 -0.303470D-01
      3   0.306601D+00 -0.556932D+00  0.934314D-01 -0.303470D-01  0.709137D+00
               121           122           123           124           125 
      1  -0.282517D+01  0.167844D+01 -0.542900D-01 -0.197699D+00 -0.886589D-01
      2   0.167844D+01 -0.645671D+01  0.820929D+00 -0.886589D-01  0.666508D+00
      3  -0.542900D-01  0.820929D+00 -0.158448D+01  0.111493D+01 -0.948069D+00
               126           127           128           129           130 
      1   0.111493D+01  0.139423D+02 -0.157961D+01  0.334724D+01 -0.363972D+01
      2  -0.948069D+00 -0.157961D+01  0.128983D+01 -0.254403D+00  0.159714D+01
      3   0.703777D+00  0.334724D+01 -0.254403D+00  0.213809D+01 -0.112996D+01
               131           132           133           134           135 
      1   0.159714D+01 -0.112996D+01  0.135666D+01 -0.324053D+00  0.118135D+01
      2  -0.490703D+00  0.394697D+00 -0.324053D+00 -0.180751D-01 -0.449684D+00
      3   0.394697D+00 -0.110180D+01  0.118135D+01 -0.449684D+00  0.618352D+00
               136           137           138           139           140 
      1  -0.691123D+00 -0.393935D+00  0.902824D+00 -0.118170D+01 -0.195202D-02
      2  -0.393935D+00 -0.496406D+00  0.179717D+00 -0.195202D-02 -0.178287D+00
      3   0.902824D+00  0.179717D+00 -0.326623D+01 -0.259462D+00  0.106949D+01
               141           142           143           144           145 
      1  -0.259462D+00  0.795297D+00 -0.855561D-01 -0.473313D+00  0.122973D+01
      2   0.106949D+01 -0.855561D-01  0.100264D+01 -0.845599D+00  0.759903D+00
      3  -0.184871D+01 -0.473313D+00 -0.845599D+00  0.732618D+01  0.162781D+00
               146           147           148           149           150 
      1   0.759903D+00  0.162781D+00  0.238232D+01  0.125258D+01  0.879625D+00
      2   0.462533D+00  0.375261D-01  0.125258D+01  0.625456D+01  0.113892D+01
      3   0.375261D-01 -0.343567D+00  0.879625D+00  0.113892D+01  0.176316D+01
               151           152           153           154           155 
      1  -0.322935D+00  0.814091D-01 -0.234647D+00  0.205276D+02  0.228142D+01
      2   0.814091D-01  0.275357D-01  0.606308D+00  0.228142D+01  0.191400D+01
      3  -0.234647D+00  0.606308D+00  0.237003D+00 -0.136228D+01 -0.772350D-01
               156           157           158           159           160 
      1  -0.136228D+01  0.474984D+01  0.407958D+01 -0.703304D+00 -0.213787D+01
      2  -0.772350D-01  0.407958D+01  0.218504D+01 -0.276482D+00 -0.423890D+00
      3   0.308299D+01 -0.703304D+00 -0.276482D+00  0.850386D+00  0.271292D+01
               161           162           163           164           165 
      1  -0.423890D+00  0.271292D+01  0.122589D+02  0.342011D-01 -0.398159D+01
      2   0.195794D+00  0.636848D+00  0.342011D-01 -0.283567D-02  0.472041D+00
      3   0.636848D+00 -0.590913D-01 -0.398159D+01  0.472041D+00  0.100795D+01
               166           167           168           169           170 
      1   0.238106D+01 -0.437363D-01 -0.383149D+00 -0.175693D+01  0.591135D+00
      2  -0.437363D-01 -0.689068D+00 -0.144031D+01  0.591135D+00 -0.728901D+00
      3  -0.383149D+00 -0.144031D+01 -0.124807D+00  0.691213D+00 -0.927905D+00
               171           172           173           174           175 
      1   0.691213D+00 -0.105305D+02  0.721988D-01  0.211186D+01 -0.110074D+01
      2  -0.927905D+00  0.721988D-01 -0.367199D+00 -0.678267D+00  0.981969D-01
      3  -0.729461D+01  0.211186D+01 -0.678267D+00 -0.280144D+01  0.337814D-01
               176           177           178           179           180 
      1   0.981969D-01  0.337814D-01  0.565862D+01 -0.570899D+00 -0.204003D+01
      2  -0.688977D+00 -0.704364D+00 -0.570899D+00 -0.889667D+00  0.769177D-01
      3  -0.704364D+00 -0.609096D+00 -0.204003D+01  0.769177D-01 -0.292485D+00
               181           182           183           184           185 
      1  -0.716141D+01  0.935689D+00 -0.132921D+00 -0.140586D+02 -0.169158D+01
      2   0.935689D+00 -0.100994D+02  0.129764D+01 -0.169158D+01  0.654829D+01
      3  -0.132921D+00  0.129764D+01 -0.210605D+01 -0.129158D+01 -0.137068D+01
               186           187           188           189           190 
      1  -0.129158D+01  0.169855D+01 -0.360898D-01 -0.440402D+01 -0.394751D+02
      2  -0.137068D+01 -0.360898D-01 -0.204753D+01 -0.223674D+01 -0.453608D+01
      3  -0.930516D+00 -0.440402D+01 -0.223674D+01 -0.201956D+00 -0.150302D+01
               191           192           193           194           195 
      1  -0.453608D+01 -0.150302D+01  0.856485D+00 -0.333903D+01 -0.191118D+00
      2  -0.985087D+01  0.498257D+00 -0.333903D+01 -0.125833D+02  0.134439D+01
      3   0.498257D+00 -0.273232D+01 -0.191118D+00  0.134439D+01  0.191629D+00
               196           197           198           199           200 
      1  -0.206128D+01 -0.728363D+00 -0.708426D+01  0.405906D+02  0.923129D+01
      2  -0.728363D+00  0.459796D+00 -0.536474D+00  0.923129D+01  0.778332D+01
      3  -0.708426D+01 -0.536474D+00 -0.120082D+01  0.159681D+01 -0.669949D+00
               201           202           203           204           205 
      1   0.159681D+01  0.146798D+02  0.252148D+01  0.644558D+00  0.174031D+01
      2  -0.669949D+00  0.252148D+01  0.542846D+01  0.283035D+00  0.983700D-01
      3   0.636019D+00  0.644558D+00  0.283035D+00  0.179893D+01  0.250760D+00
               206           207           208           209           210 
      1   0.983700D-01  0.250760D+00  0.101066D+02  0.338099D+01  0.415033D+00
      2   0.111938D+01  0.458121D+01  0.338099D+01  0.304443D+01 -0.108228D+00
      3   0.458121D+01 -0.105392D+01  0.415033D+00 -0.108228D+00 -0.337429D+00
               211           212           213           214           215 
      1  -0.259946D+01 -0.306867D+01  0.182628D+00  0.103972D+01  0.539185D+00
      2  -0.306867D+01  0.160861D+01 -0.427167D+00  0.539185D+00  0.236105D+00
      3   0.182628D+00 -0.427167D+00 -0.681478D+00 -0.994934D-01  0.761382D+00
               216           217           218           219           220 
      1  -0.994934D-01 -0.244227D+01 -0.406687D+01 -0.727234D-03 -0.359915D+01
      2   0.761382D+00 -0.406687D+01 -0.356948D+00 -0.579354D+00  0.292171D+01
      3  -0.138502D+00 -0.727234D-03 -0.579354D+00  0.861563D+00 -0.823903D+00
               221           222           223           224           225 
      1   0.292171D+01 -0.823903D+00 -0.237012D+00 -0.719339D+00  0.267827D+01
      2   0.127581D+01  0.113265D+01 -0.719339D+00  0.761447D+00  0.409157D+01
      3   0.113265D+01  0.551258D+01  0.267827D+01  0.409157D+01 -0.102079D+01
               226           227           228           229           230 
      1   0.309798D+00 -0.133455D+01  0.171490D+00 -0.423231D+00  0.785071D-01
      2  -0.133455D+01  0.147807D+01 -0.255101D+00  0.785071D-01 -0.100194D+02
      3   0.171490D+00 -0.255101D+00  0.150461D+00  0.191632D-01  0.104002D+01
               231           232           233           234           235 
      1   0.191632D-01  0.656374D-01 -0.115003D+00 -0.683586D-01 -0.657759D+01
      2   0.104002D+01 -0.115003D+00  0.120982D+01 -0.209470D+00 -0.347425D+01
      3  -0.100617D+01 -0.683586D-01 -0.209470D+00  0.132233D+00 -0.152679D+00
               236           237           238           239           240 
      1  -0.347425D+01 -0.152679D+00 -0.535577D+01 -0.412621D+01  0.133661D+00
      2  -0.264289D+01 -0.588127D-02 -0.412621D+01 -0.416378D+01  0.618794D-01
      3  -0.588127D-02 -0.370828D+00  0.133661D+00  0.618794D-01 -0.578297D+00
               241           242           243           244           245 
      1  -0.211590D-01  0.201335D+00  0.429416D+00 -0.654748D+00  0.213834D+01
      2   0.201335D+00  0.200368D+00 -0.118123D+00  0.213834D+01 -0.163544D+01
      3   0.429416D+00 -0.118123D+00  0.134646D+00 -0.238402D+00  0.306190D+00
               246           247           248           249           250 
      1  -0.238402D+00  0.260672D+01 -0.318489D+01  0.420924D+00 -0.294999D+00
      2   0.306190D+00 -0.318489D+01  0.864528D+01 -0.103272D+01  0.496855D+00
      3  -0.279993D+00  0.420924D+00 -0.103272D+01  0.108347D+01 -0.279834D+00
               251           252           253           254           255 
      1   0.496855D+00 -0.279834D+00 -0.698745D+00 -0.375159D+00  0.150646D+01
      2  -0.107689D+01  0.192181D+00 -0.375159D+00 -0.750068D-01  0.449522D+00
      3   0.192181D+00 -0.173009D+00  0.150646D+01  0.449522D+00 -0.405145D+00
               256           257           258           259           260 
      1  -0.210026D+01 -0.187231D+01  0.134638D+01  0.536987D+01  0.160152D+01
      2  -0.187231D+01 -0.194524D+01  0.145940D+01  0.160152D+01  0.173174D+01
      3   0.134638D+01  0.145940D+01 -0.242296D+01 -0.316519D+01 -0.224364D+01
               261           262           263           264           265 
      1  -0.316519D+01  0.969184D-01 -0.265874D+00 -0.993806D+00 -0.241154D+01
      2  -0.224364D+01 -0.265874D+00  0.115957D+00 -0.127408D+00 -0.219699D+01
      3   0.506122D+01 -0.993806D+00 -0.127408D+00  0.875323D-01 -0.143300D+01
               266           267           268           269           270 
      1  -0.219699D+01 -0.143300D+01 -0.405951D+01 -0.142639D+01 -0.270240D+01
      2  -0.314835D+01 -0.234223D+01 -0.142639D+01 -0.228527D+01 -0.270296D+01
      3  -0.234223D+01 -0.300041D+01 -0.270240D+01 -0.270296D+01 -0.434105D+01
               271           272           273           274           275 
      1  -0.125025D+02  0.315961D+01 -0.112090D+01  0.676109D+01 -0.256039D+01
      2   0.315961D+01 -0.146175D+01  0.295557D+00 -0.256039D+01  0.209934D+01
      3  -0.112090D+01  0.295557D+00 -0.118303D+01  0.612815D+00 -0.382568D+00
               276           277           278           279 
      1   0.612815D+00 -0.147328D+01  0.367707D+00 -0.169970D+01
      2  -0.382568D+00  0.367707D+00 -0.339283D+00  0.583304D-01
      3   0.513196D+00 -0.169970D+01  0.583304D-01 -0.400745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152444D+01 -0.374923D+01 -0.105169D+00 -0.327158D+01 -0.199184D+01
      2  -0.104268D+02  0.371902D+01 -0.612517D-01  0.141770D+02  0.313867D+01
      3  -0.102014D+02  0.446557D+02 -0.574780D+01  0.432496D+02  0.224380D+02
                 6             7             8             9            10 
      1  -0.379130D+00  0.405731D+01  0.764431D+01 -0.454574D+00 -0.172044D+01
      2   0.215541D+00 -0.208627D+02 -0.168867D+01 -0.157098D+01  0.122641D+02
      3   0.636023D-01 -0.183339D+01  0.193980D+01 -0.226298D+01  0.173775D+02
                11            12            13            14            15 
      1  -0.503306D+01  0.132157D+00 -0.385871D+01  0.600391D+00 -0.765380D-02
      2   0.725025D+01 -0.352359D+01 -0.810646D+01  0.919183D+00 -0.707519D+00
      3   0.539868D+02 -0.453586D+01  0.578385D+02  0.184786D+02  0.242878D+01
                16            17            18            19            20 
      1   0.232464D+01  0.706673D+01 -0.723527D+00 -0.258189D+01  0.586863D+00
      2  -0.193284D+02  0.143476D+00 -0.127149D+01  0.193715D+02 -0.717385D+00
      3  -0.193014D+01  0.287552D+01  0.124711D+01  0.260966D+02 -0.325504D+02
                21            22            23            24            25 
      1  -0.894612D+00  0.133618D+01 -0.222706D+01 -0.251275D+01  0.355207D+01
      2  -0.608817D+00  0.375636D+01  0.229563D+00 -0.200668D+01 -0.193548D+02
      3   0.542792D+01  0.893290D+01  0.352043D+01  0.603799D+00  0.204670D+01
                26            27            28            29            30 
      1  -0.114295D+01 -0.151856D+01 -0.180691D+01 -0.646876D+00  0.606857D-01
      2  -0.775184D+01  0.406096D+00 -0.163771D+02 -0.188040D+00  0.148720D+01
      3  -0.193713D+01  0.502130D+01 -0.817253D+00  0.676293D+01 -0.139805D+01
                31            32            33            34            35 
      1  -0.386249D+01  0.575069D+01  0.135858D+01  0.277542D+01  0.136625D+02
      2   0.268542D+01 -0.382272D+00  0.166844D+01 -0.134462D+02 -0.214437D+01
      3   0.280187D+02  0.655809D+01 -0.116312D+01  0.115248D+00  0.115923D+01
                36            37            38            39            40 
      1  -0.903630D+00 -0.150286D+01  0.176812D+01 -0.399548D+01 -0.473032D+00
      2  -0.183624D+01  0.232129D+01  0.608111D+00  0.227947D+01 -0.621149D+01
      3  -0.266480D+01  0.310808D+02  0.361687D+01  0.588714D+00 -0.108052D+02
                41            42            43            44            45 
      1  -0.202479D+01 -0.108860D+00 -0.160438D+02  0.932151D+01 -0.244962D+01
      2   0.755543D+00  0.528304D+00 -0.770180D+01  0.647716D+01 -0.141421D+01
      3   0.217429D+01  0.880449D+00  0.247127D+01  0.142070D+01  0.683655D+01
                46            47            48            49            50 
      1   0.404453D+01  0.139161D+01  0.350824D+01  0.223449D+01  0.117640D+01
      2  -0.305384D+01 -0.526399D+01  0.483208D+00 -0.347151D+01 -0.298819D+01
      3  -0.576726D+02 -0.373599D+02  0.929755D+00 -0.885033D+01 -0.237253D+02
                51            52            53            54            55 
      1  -0.260449D+01  0.674014D+01 -0.465264D+01  0.339154D+01  0.109012D+01
      2   0.751540D+00 -0.182934D+02  0.169781D+01 -0.194594D+01 -0.114918D+01
      3   0.724014D+00 -0.111912D+01 -0.143275D+01 -0.589438D+01 -0.302228D+02
                56            57            58            59            60 
      1   0.509829D+01  0.292189D+01 -0.356139D-01  0.969826D+00 -0.230311D+01
      2  -0.451431D+01 -0.404272D+01 -0.184274D+01 -0.879373D+00  0.326445D+01
      3  -0.370832D+02  0.365077D+01 -0.947706D+00 -0.265571D+02  0.123233D+01
                61            62            63            64            65 
      1   0.395701D+01 -0.436369D+01  0.123813D+01 -0.568143D+00 -0.528848D-02
      2  -0.226570D+02  0.675042D+01 -0.424389D+01  0.139342D+00  0.479335D+00
      3   0.133891D+01 -0.254833D+01 -0.102072D+02  0.771280D+00  0.461625D+00
                66            67            68            69            70 
      1   0.787208D+00  0.543963D+00 -0.190957D+01 -0.372070D+01  0.152706D+00
      2   0.129118D+00  0.955972D+00  0.179991D+00 -0.118504D+01 -0.144034D+01
      3   0.840240D-01  0.454956D+01  0.543938D+01 -0.660008D+00 -0.234462D+00
                71            72            73            74            75 
      1   0.254651D+01  0.484466D+00 -0.103320D+00  0.207608D+00 -0.262107D+01
      2   0.102781D+01 -0.849098D-02 -0.998881D+00 -0.686354D+00  0.226933D+01
      3  -0.691352D+00 -0.656399D+00  0.941582D+01  0.989595D-01  0.191383D+00
                76            77            78            79            80 
      1   0.966270D+00  0.937092D+00 -0.265150D+01  0.228515D+01  0.804795D+00
      2  -0.127952D+01 -0.918231D+00  0.256713D+01 -0.253251D+01  0.299863D+00
      3   0.256790D+01 -0.180886D+01  0.302201D-01  0.106535D+01  0.672327D-01
                81            82            83            84            85 
      1   0.453376D+00  0.704131D+00 -0.617651D+00  0.105546D+01 -0.309773D+00
      2  -0.426464D+00 -0.406230D+00  0.277795D-01  0.451399D+00  0.394652D+00
      3  -0.119048D+01 -0.445469D+01  0.217209D+01 -0.572161D+00  0.503701D+01
                86            87            88            89            90 
      1   0.250879D+01 -0.517870D+01 -0.131450D+01  0.185041D+01  0.301871D+00
      2  -0.373188D+00 -0.655551D+00 -0.388904D+00 -0.795271D+00  0.331022D+00
      3  -0.343797D+01  0.582165D+00 -0.105344D+01  0.104084D+01  0.108872D+01
                91            92            93            94            95 
      1  -0.164266D+01 -0.370860D+00 -0.107234D+01 -0.231670D+01  0.214268D+01
      2   0.119605D+02 -0.107498D+01 -0.729605D+01 -0.486045D+01 -0.274552D+01
      3   0.634673D+01 -0.594409D+01  0.180141D+01  0.856947D+01 -0.215267D+02
                96            97            98            99           100 
      1  -0.296340D+01 -0.445328D+01  0.304809D+01 -0.741722D+00  0.513206D+01
      2  -0.119610D+01 -0.345995D+02 -0.219478D+01  0.455662D+01  0.922451D+01
      3   0.466652D+01  0.411693D+01  0.315260D+01  0.587028D+01 -0.162304D+02
               101           102           103           104           105 
      1   0.529215D+00 -0.714496D-01 -0.175645D+01 -0.112666D+02 -0.360823D+01
      2  -0.296307D+01  0.213344D+02 -0.172971D+01  0.950119D+00  0.829789D+01
      3  -0.167584D+01 -0.259032D+01  0.367848D+01  0.238247D+02  0.589594D+00
               106           107           108           109           110 
      1   0.182556D+01  0.185033D+01  0.635522D+01  0.544123D+01  0.269862D+01
      2   0.157572D+02  0.685731D+01 -0.111210D+02 -0.151813D+02  0.652689D+00
      3  -0.441019D+01 -0.503452D+00 -0.874379D+01  0.263980D+01  0.146049D+02
               111           112           113           114           115 
      1   0.618444D+01  0.112932D+02 -0.483769D+00 -0.149586D+02  0.568992D+01
      2   0.163271D+01  0.386394D+01 -0.108103D+01 -0.585516D+01  0.104571D+02
      3  -0.294200D+00  0.184097D+02  0.120227D+02 -0.255844D+01  0.219430D+00
               116           117           118           119           120 
      1  -0.489384D+01 -0.249427D+00 -0.465277D+00  0.412084D+00  0.188438D+00
      2  -0.193328D+01 -0.113532D+00  0.131562D+01  0.428352D+00  0.290209D+01
      3  -0.220301D+01 -0.317266D+01  0.673796D+01 -0.133212D+01 -0.806600D-01
               121           122           123           124           125 
      1   0.752483D+00 -0.379514D+01 -0.225425D+01  0.223521D+00  0.708224D+00
      2   0.127371D+01  0.175979D+01 -0.495526D+01  0.205613D+01 -0.270808D+01
      3  -0.878734D+00  0.232440D+02 -0.302021D+01  0.554044D+00 -0.234201D+01
               126           127           128           129           130 
      1   0.379847D+00 -0.301968D+01  0.359901D+01 -0.172368D+00  0.320024D+01
      2   0.156286D+01 -0.104169D+02  0.191563D+01  0.646701D+01  0.162039D+01
      3   0.253813D+01  0.808181D+01 -0.864752D+01  0.142028D+01 -0.641349D+01
               131           132           133           134           135 
      1  -0.648427D+00 -0.339574D+00 -0.975056D+00  0.748514D+00 -0.973417D+00
      2  -0.117278D+01 -0.337825D+01  0.187082D+01 -0.109896D+01  0.928451D-01
      3   0.143938D+01 -0.154426D+01  0.114410D+01 -0.142014D+01  0.213937D+01
               136           137           138           139           140 
      1  -0.149432D+01 -0.242981D+01  0.664823D+00 -0.778627D+00 -0.686257D+00
      2   0.754909D+01  0.181746D+01 -0.140823D+02  0.161909D+01  0.420203D+01
      3   0.209402D+01  0.179540D+01 -0.787195D+00  0.144618D+01  0.432994D+00
               141           142           143           144           145 
      1   0.124660D+01  0.415988D-01  0.409260D+01 -0.261035D+01  0.221819D+01
      2  -0.694967D+01 -0.675197D+01 -0.367538D+01  0.298486D+02 -0.827492D+00
      3  -0.396667D+01  0.502080D+00 -0.326071D+01  0.361714D+01 -0.359586D+01
               146           147           148           149           150 
      1   0.764970D+00  0.240075D+00  0.121590D+01  0.139236D+02 -0.102456D+01
      2  -0.112599D+01 -0.111109D+01 -0.733700D+00  0.218092D+01  0.575578D+01
      3  -0.159425D+01 -0.453081D+00 -0.804777D+00 -0.273775D+02 -0.361962D+01
               151           152           153           154           155 
      1   0.364152D+00  0.659234D+00  0.124397D+01 -0.445147D+01 -0.303796D+01
      2  -0.123235D+01  0.201894D+01  0.117111D+01  0.765551D+01  0.114302D+01
      3  -0.135260D+01  0.419478D+00 -0.262247D+01 -0.130518D+02 -0.231079D+02
               156           157           158           159           160 
      1  -0.227695D+01 -0.785146D+01 -0.242573D+01  0.356220D+00 -0.370624D+00
      2   0.227458D+02 -0.361416D+01  0.169087D+01  0.746622D+01  0.799357D+01
      3   0.918776D-01 -0.167672D+02 -0.141666D+02  0.186796D+01  0.114363D+01
               161           162           163           164           165 
      1   0.343499D+01 -0.900375D+00 -0.626335D+01 -0.150704D+01 -0.676518D-01
      2   0.286914D+01  0.859334D+00  0.102173D+02  0.274715D+01  0.106919D+01
      3   0.224533D+01 -0.335017D+01 -0.884885D+01 -0.392419D+01  0.679630D+00
               166           167           168           169           170 
      1  -0.438981D+01  0.162024D+01  0.404937D+01  0.204094D+01  0.792426D+01
      2   0.348127D+01 -0.568493D+01  0.701434D+00 -0.807490D+01 -0.292468D+01
      3  -0.148779D+01  0.214594D+01  0.696397D+01 -0.200830D+00  0.322939D+01
               171           172           173           174           175 
      1  -0.338247D+01  0.577081D+01  0.143265D+01 -0.218791D+01  0.478521D+01
      2  -0.249378D+02 -0.208636D+02 -0.273153D+01 -0.572091D+01 -0.356357D+01
      3   0.372975D+01  0.940943D+01  0.224395D+01  0.815268D-01  0.568028D+01
               176           177           178           179           180 
      1  -0.507542D+00 -0.218700D+01 -0.257591D+01 -0.398922D+00  0.100723D+01
      2  -0.269576D+01 -0.163358D+01 -0.348736D+00 -0.223300D+00 -0.272772D+01
      3   0.976223D+00  0.120857D+01 -0.300274D+01 -0.434892D+00  0.142155D+01
               181           182           183           184           185 
      1   0.473921D+00 -0.371454D+01 -0.382272D+01 -0.487629D+00  0.145758D+01
      2   0.266842D+01  0.771538D+00  0.732200D+01  0.136782D+01  0.221579D+01
      3   0.155527D+02  0.685919D+01 -0.789043D+00 -0.131370D+02  0.711654D+01
               186           187           188           189           190 
      1  -0.134674D+01 -0.129698D+02  0.744129D+01 -0.249875D+01 -0.196599D+01
      2   0.189556D+01 -0.122321D+01  0.109786D+02  0.201380D+00  0.113319D+02
      3  -0.173614D+01  0.151942D+01 -0.698946D+00  0.918542D+00  0.203552D+02
               191           192           193           194           195 
      1  -0.495093D+01  0.117147D+01 -0.408662D+01 -0.125912D+01  0.233540D+01
      2   0.386807D+01 -0.916208D+00  0.498750D+01  0.152762D+01  0.394415D+00
      3   0.226909D+02 -0.606570D+00  0.416258D+02  0.620873D+01  0.241763D+01
               196           197           198           199           200 
      1   0.580847D+00  0.131464D+02 -0.147926D+01  0.236779D+00  0.494877D+01
      2   0.216902D+01 -0.389026D+01  0.193409D+01 -0.849754D+01 -0.562192D+01
      3  -0.300591D+01  0.291143D+01 -0.125811D+01  0.292647D+01 -0.445091D+02
               201           202           203           204           205 
      1  -0.666255D+00  0.141316D+01  0.170635D+01 -0.235794D+01  0.510448D+01
      2   0.260340D+01 -0.574140D+01 -0.382971D+01 -0.305511D+01 -0.201598D+02
      3   0.392571D+01 -0.462863D+01 -0.945328D+01  0.174501D+01  0.227641D+01
               206           207           208           209           210 
      1   0.100129D+01  0.774668D+00  0.145854D+01  0.396203D+01 -0.118502D+01
      2  -0.167158D+02  0.163914D+01 -0.400359D+01 -0.343890D+01  0.142464D+02
      3   0.158581D+00  0.920891D+01 -0.878350D+01 -0.396503D+02  0.165379D+01
               211           212           213           214           215 
      1  -0.576438D+00 -0.147979D+01 -0.407414D+01 -0.235685D+01 -0.115664D+01
      2  -0.188171D+00  0.249604D+01  0.310842D+01 -0.540441D+01 -0.199989D+01
      3   0.395798D+00  0.150692D+02 -0.181783D+01 -0.630356D+00 -0.458347D+01
               216           217           218           219           220 
      1   0.224387D+00  0.628267D+00 -0.149739D+01  0.129926D+01 -0.842722D+00
      2   0.983713D+00 -0.135055D+00  0.405424D+01 -0.611634D+01  0.457609D+01
      3   0.353747D+01 -0.273129D+02  0.136794D+02 -0.531802D+01  0.280109D+02
               221           222           223           224           225 
      1  -0.543437D+00  0.232542D+01  0.977350D+01  0.453134D+01 -0.134990D+01
      2  -0.537327D+01 -0.352499D+02 -0.214882D+02 -0.267031D+02  0.696507D+01
      3   0.196015D+02  0.718689D+01 -0.458684D+01  0.549968D+01  0.271329D+02
               226           227           228           229           230 
      1   0.146097D+00 -0.144780D+00  0.949464D+00  0.901407D-02 -0.657826D+00
      2  -0.751772D+00  0.793599D+00  0.340618D-01  0.452400D+00 -0.209981D+01
      3  -0.612169D+01  0.428050D+01 -0.937353D+00  0.417212D+01 -0.201200D+02
               231           232           233           234           235 
      1  -0.459656D+01 -0.331179D+00  0.272561D+01  0.227638D+00 -0.862177D+00
      2   0.118232D+01  0.104699D+00 -0.270286D+00  0.389030D-01  0.181130D+01
      3   0.220206D+01 -0.106515D+01  0.298602D+01  0.244701D+00  0.174725D+01
               236           237           238           239           240 
      1  -0.400404D+00 -0.183553D+01 -0.657620D-01 -0.134123D+00 -0.231344D+01
      2   0.442891D+00  0.228899D+01  0.809032D-01  0.104787D+00  0.318683D+01
      3  -0.486433D+01  0.403523D+00 -0.425124D+01 -0.107080D+02  0.185645D+00
               241           242           243           244           245 
      1   0.230203D+01  0.776562D+00  0.259941D+00  0.895006D-01 -0.229182D+00
      2  -0.294654D+01  0.123864D+00 -0.642373D+00  0.570710D+00 -0.645921D+00
      3   0.110576D+01  0.684891D+00 -0.115549D+01  0.371294D+01 -0.233851D+01
               246           247           248           249           250 
      1   0.969234D+00 -0.298559D+00  0.560215D-01 -0.400546D+01 -0.106464D+00
      2   0.108882D+01 -0.645996D+00  0.259876D+01 -0.338044D+01 -0.149674D+01
      3   0.504508D+00 -0.150240D+01  0.205324D+02 -0.224317D+01  0.691912D+00
               251           252           253           254           255 
      1   0.180252D+01  0.357950D+00 -0.275183D+00  0.195450D+00 -0.112183D+00
      2   0.375022D-01  0.310271D+00 -0.968963D+01 -0.263280D+01  0.321733D+01
      3  -0.238685D+01  0.683663D-01 -0.368880D+01 -0.246638D+01  0.243696D+01
               256           257           258           259           260 
      1   0.111037D+01  0.737635D+00 -0.253685D+01 -0.276008D+01  0.876433D+00
      2  -0.676281D+01 -0.892743D+01  0.152157D+02  0.157758D+02  0.144040D+02
      3  -0.102739D+02 -0.156907D+02  0.931959D+01  0.825154D+01  0.131663D+02
               261           262           263           264           265 
      1   0.390241D+01  0.815655D+00 -0.417618D-01  0.612288D+00 -0.144080D+00
      2  -0.310395D+02  0.649075D+01  0.187295D+00 -0.106929D+00  0.556677D+01
      3  -0.147246D+02 -0.260131D+01 -0.900962D+00 -0.163916D+00 -0.118676D+02
               266           267           268           269           270 
      1   0.112784D+01 -0.212025D+01 -0.136902D+01  0.176403D+01 -0.233376D+01
      2   0.124900D+02  0.176425D+02  0.115236D+02  0.159035D+02  0.244806D+02
      3  -0.233492D+02 -0.142273D+02 -0.678773D+01 -0.159390D+02 -0.169833D+02
               271           272           273           274           275 
      1  -0.105059D+01  0.781463D+00  0.341559D+00  0.724004D+00 -0.761476D+00
      2   0.370860D+01 -0.121390D+01  0.896154D+01 -0.210764D+01  0.171179D+01
      3   0.219796D+02 -0.132793D+02  0.231568D+01 -0.160079D+02  0.139758D+02
               276           277           278           279 
      1  -0.945093D+00 -0.886654D+00  0.499047D+00  0.534566D-01
      2  -0.363418D+01  0.846529D+01 -0.149231D+00  0.209602D+01
      3  -0.252004D+01  0.265017D+01 -0.257502D+01  0.266168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914439D+02 -0.421714D+02 -0.986444D+00  0.934391D+02 -0.828180D+01
      2   0.468387D+02  0.243122D+02  0.763808D+00 -0.422297D+02  0.110052D+02
      3   0.446052D+02  0.178591D+02  0.222636D+00 -0.512094D+02 -0.272339D+01
      4  -0.338079D+02  0.501394D+01 -0.258154D+01 -0.338793D+01  0.921254D+01
      5   0.272912D+01 -0.223535D+01  0.408256D+00 -0.437687D+01 -0.323556D+01
      6   0.239639D+00  0.155414D+01  0.304238D+00 -0.397710D+01 -0.305691D+01
                 6             7             8             9            10 
      1   0.646999D+01 -0.180488D+02 -0.341763D+01 -0.119378D+02  0.622533D+02
      2  -0.444817D+01  0.793197D+01  0.129084D+01 -0.101818D+01 -0.165278D+02
      3  -0.202182D+01  0.101169D+02  0.212678D+01  0.129560D+02 -0.457256D+02
      4  -0.137176D+01 -0.224001D+01 -0.508296D+00  0.230487D+00 -0.119819D+00
      5  -0.447878D+00  0.162604D+01  0.173827D+01 -0.154071D+01  0.126002D+01
      6   0.189268D+00 -0.263370D+01  0.296886D+01  0.489459D+00 -0.593277D+01
                11            12            13            14            15 
      1  -0.116639D+02  0.690446D+01 -0.113930D+03 -0.223345D+02 -0.669794D+01
      2   0.100151D+02 -0.213680D+01  0.512093D+02  0.188131D+02  0.127533D+01
      3   0.164887D+01 -0.476765D+01  0.627205D+02  0.352134D+01  0.542261D+01
      4   0.394962D+00 -0.565234D+00 -0.179875D+02 -0.136131D+02  0.178512D+00
      5  -0.293401D+01 -0.657220D+01  0.587382D+01  0.214765D+01 -0.168311D+00
      6  -0.111079D+01 -0.656001D+00  0.246496D+01  0.515894D+00 -0.370388D+00
                16            17            18            19            20 
      1   0.181310D+02  0.649327D+00 -0.711167D+01  0.643260D+02  0.435040D+02
      2  -0.650790D+01 -0.114598D+01 -0.220407D+01 -0.284355D+02 -0.278660D+02
      3  -0.116231D+02  0.496656D+00  0.931574D+01 -0.358905D+02 -0.156380D+02
      4   0.218805D+01  0.872307D+00 -0.197939D+01  0.357072D+02 -0.964213D+01
      5  -0.451054D+00 -0.194111D+01 -0.172379D+01 -0.661105D+01  0.161542D+01
      6  -0.198719D+01  0.278951D+01  0.143495D+01 -0.284735D+01 -0.494394D+01
                21            22            23            24            25 
      1   0.311499D+01 -0.123049D+02  0.193623D+02 -0.183848D+01  0.810268D+01
      2  -0.677615D+00  0.194509D+02 -0.247535D+02  0.446440D+01 -0.460029D+01
      3  -0.243738D+01 -0.714601D+01  0.539123D+01 -0.262592D+01 -0.350238D+01
      4   0.268494D+01  0.146856D+02  0.141892D+01 -0.140652D+01  0.360978D+01
      5  -0.551007D+01 -0.198779D+01 -0.274324D+01 -0.687241D+01  0.856940D+01
      6   0.105306D+01 -0.419623D+01  0.396790D+01  0.459306D+01 -0.124850D+01
                26            27            28            29            30 
      1   0.437928D+01 -0.135224D+02  0.231200D+01 -0.159565D+01 -0.347982D+01
      2   0.344723D+01 -0.299040D+00 -0.211489D+02  0.157662D+01  0.277050D+00
      3  -0.782651D+01  0.138215D+02  0.188369D+02  0.190307D-01  0.320277D+01
      4  -0.314183D+01 -0.489055D+01 -0.191767D+02  0.106345D+02 -0.378270D+00
      5  -0.898000D+01 -0.704421D+00  0.103051D+02  0.210419D+01  0.922515D+01
      6   0.130870D+02 -0.283777D+01  0.604078D+01  0.270136D+01 -0.234832D+01
                31            32            33            34            35 
      1  -0.492214D+02 -0.571809D+02  0.494164D+01 -0.169442D+01  0.412194D+01
      2   0.398640D+02  0.500046D+02 -0.589166D+01 -0.429247D+01 -0.523771D+01
      3   0.935744D+01  0.717626D+01  0.950022D+00  0.598690D+01  0.111577D+01
      4  -0.317093D+02  0.326071D+01 -0.174362D+01  0.550346D+01 -0.518702D+00
      5   0.541508D+01 -0.130415D+01  0.325413D+01  0.316243D+02  0.448569D+01
      6  -0.492260D+01  0.179286D+01 -0.328499D+01 -0.395367D+01  0.263861D+01
                36            37            38            39            40 
      1  -0.791984D+00 -0.183083D+02 -0.554256D+02  0.278729D+01  0.387478D+02
      2  -0.102695D+02  0.101895D+02  0.429640D+02 -0.200910D+01 -0.400018D+02
      3   0.110615D+02  0.811883D+01  0.124617D+02 -0.778190D+00  0.125396D+01
      4  -0.194926D+01 -0.104449D+02 -0.398048D+01 -0.769449D+00  0.108014D+02
      5   0.135516D+01  0.184432D+01 -0.379669D+01  0.631908D+01  0.323083D+01
      6   0.202051D+01 -0.356446D+01  0.258918D+01  0.695744D+01  0.873097D+01
                41            42            43            44            45 
      1   0.354127D+02 -0.401499D+01 -0.856950D+01 -0.116609D+02 -0.893150D+01
      2  -0.327288D+02  0.161282D+01  0.732695D+01  0.823927D+01 -0.124588D+01
      3  -0.268383D+01  0.240217D+01  0.124254D+01  0.342163D+01  0.101774D+02
      4  -0.155386D+02  0.384748D+01 -0.245074D+01  0.264040D+01  0.906503D+01
      5   0.531908D+01  0.493772D+01  0.175238D+02  0.508093D+01  0.599423D+00
      6  -0.104952D+01  0.212248D+01  0.190565D+02  0.764265D+01  0.520179D+01
                46            47            48            49            50 
      1   0.309964D+02  0.412753D+02  0.102174D+01 -0.810576D+01  0.220631D+01
      2  -0.245311D+02 -0.326571D+02 -0.262248D+00  0.559702D+01 -0.124090D+02
      3  -0.646537D+01 -0.861818D+01 -0.759492D+00  0.250874D+01  0.102027D+02
      4   0.375040D+01 -0.692319D+01  0.120175D+01  0.776060D+01  0.879215D+01
      5  -0.452500D+01  0.379703D+01 -0.156862D+01 -0.134641D+00 -0.478042D+00
      6   0.415202D+01 -0.495728D+01 -0.458550D+01  0.532515D-01  0.707815D+01
                51            52            53            54            55 
      1  -0.379102D+01  0.584305D+01 -0.107756D+01 -0.217685D+02  0.219306D+02
      2   0.404060D+01 -0.496957D+01  0.415232D+01  0.110444D+02 -0.192099D+02
      3  -0.249583D+00 -0.873477D+00 -0.307477D+01  0.107241D+02 -0.272069D+01
      4  -0.973711D+00  0.257022D+00 -0.417604D+01 -0.257409D+01  0.252380D+02
      5  -0.121226D+00  0.348575D+01  0.859739D+00 -0.239485D+01  0.237816D+01
      6   0.623156D+01 -0.427439D+01  0.227312D+02 -0.243369D+01  0.295159D+01
                56            57            58            59            60 
      1   0.527586D+02 -0.158040D+01  0.731704D+01  0.214573D+02 -0.443640D+01
      2  -0.352775D+02  0.208337D+00 -0.116861D+01 -0.215397D+02  0.513941D+01
      3  -0.174811D+02  0.137207D+01 -0.614843D+01  0.824003D-01 -0.703015D+00
      4  -0.408206D+02  0.461736D+01  0.271728D+02  0.152785D+02  0.162975D+01
      5   0.579246D+01 -0.954678D+01 -0.274292D+01  0.966260D+00  0.456514D+01
      6  -0.137291D+01 -0.520122D+01 -0.275979D+00  0.572445D+01  0.542329D+01
                61            62            63            64            65 
      1   0.240898D+01 -0.159224D+01 -0.208649D+02 -0.125662D+01  0.282116D+01
      2  -0.214235D+01  0.694898D+01  0.894682D+01  0.396439D+01 -0.409050D+01
      3  -0.266634D+00 -0.535675D+01  0.119181D+02 -0.270777D+01  0.126934D+01
      4  -0.207447D+01 -0.372255D+01  0.135039D+02 -0.498441D+01  0.945054D+01
      5   0.133488D+01  0.164511D+02 -0.690807D+01  0.107795D+01 -0.169737D+01
      6   0.880129D+00  0.220972D+02 -0.436173D+01 -0.185344D+01  0.168815D+01
                66            67            68            69            70 
      1  -0.397038D+00  0.708666D+01 -0.313739D+02  0.476262D+01 -0.215366D+00
      2   0.295215D+00 -0.980443D+01  0.381323D+02 -0.360727D+01  0.389786D+00
      3   0.101823D+00  0.271776D+01 -0.675848D+01 -0.115535D+01 -0.174420D+00
      4  -0.132004D+01  0.101653D+02 -0.179454D+02  0.232713D+01 -0.153201D+01
      5   0.138495D+01 -0.186060D+01  0.155727D+01 -0.215026D+01  0.278749D+00
      6  -0.105860D+01  0.284129D+01 -0.951685D+01  0.694571D+01 -0.191382D+01
                71            72            73            74            75 
      1   0.340160D+01 -0.336742D+01  0.911646D+01 -0.500692D+00 -0.329353D+00
      2  -0.376740D+01  0.352767D+01  0.172910D+01  0.769264D+01 -0.460804D-01
      3   0.365803D+00 -0.160247D+00 -0.108456D+02 -0.719195D+01  0.375433D+00
      4   0.271929D+01 -0.871913D+00  0.257877D+02  0.189834D+02  0.344218D-01
      5   0.101170D+00  0.590204D+00  0.114303D+01  0.480022D+00  0.419264D+01
      6   0.321608D+01 -0.193200D+01  0.164818D+01  0.947993D+00  0.268912D+01
                76            77            78            79            80 
      1  -0.209437D+01 -0.860538D+01  0.171419D+00  0.706750D+00  0.890493D+00
      2   0.117868D+02  0.181459D+02 -0.399423D+00 -0.101472D+01 -0.128440D+01
      3  -0.969243D+01 -0.954049D+01  0.228004D+00  0.307974D+00  0.393908D+00
      4   0.248832D+02  0.249846D+02 -0.310445D+00 -0.126187D+01 -0.153781D+01
      5   0.613864D+00 -0.551910D-01  0.375498D+01 -0.968702D+00  0.187905D+01
      6   0.871753D+00  0.147268D+01  0.426350D+01 -0.119690D+01  0.202836D+01
                81            82            83            84            85 
      1   0.132032D+00 -0.428292D+01  0.656807D+01 -0.115423D+01  0.287188D+01
      2   0.822622D+00  0.649420D+01 -0.893060D+01  0.105673D+01 -0.352500D+01
      3  -0.954654D+00 -0.221127D+01  0.236253D+01  0.974980D-01  0.653116D+00
      4   0.200962D+01 -0.275739D+01  0.108231D+02 -0.924137D+00  0.641101D+01
      5  -0.893986D+00 -0.371203D+00 -0.815668D-01  0.163015D+01 -0.166228D+00
      6  -0.675736D+00 -0.495282D+00  0.110189D+01 -0.144362D+01  0.115196D+00
                86            87            88            89            90 
      1  -0.517375D+02  0.509079D+01 -0.116310D+01  0.642284D+01 -0.274512D+01
      2   0.687610D+02 -0.563057D+01  0.120942D+01 -0.772459D+01  0.312159D+01
      3  -0.170234D+02  0.539784D+00 -0.463228D-01  0.130175D+01 -0.376474D+00
      4  -0.859625D+01  0.509701D+00 -0.751726D+00  0.149221D+01 -0.138884D+01
      5  -0.175546D+01 -0.474749D+00  0.873562D+00 -0.931882D+00  0.466312D+00
      6  -0.429910D+01  0.810650D+01  0.742932D+00  0.358491D+01 -0.165623D+01
                91            92            93            94            95 
      1  -0.108337D+02 -0.575000D+01  0.915812D+01 -0.728998D+01  0.146097D+02
      2   0.181327D+02  0.579976D+01  0.968925D+00  0.102903D+02 -0.194138D+02
      3  -0.729903D+01 -0.497619D-01 -0.101270D+02 -0.300035D+01  0.480408D+01
      4  -0.244835D+01  0.149706D+01 -0.429368D+01 -0.224287D+01  0.370007D+02
      5  -0.792834D+00 -0.571002D+01 -0.225558D+02 -0.193880D+02 -0.490296D+01
      6  -0.533899D+01 -0.191184D+01 -0.713277D+00 -0.239580D-01  0.915893D+01
                96            97            98            99           100 
      1  -0.115908D+02  0.464959D+01 -0.558409D+01 -0.236870D+02 -0.584060D+02
      2   0.131156D+02  0.406140D+01  0.541382D+01  0.173045D+02  0.322174D+02
      3  -0.152477D+01 -0.871099D+01  0.170277D+00  0.638248D+01  0.261887D+02
      4  -0.465661D+01 -0.104764D+02 -0.417976D+01 -0.375689D+01  0.257047D+02
      5  -0.473818D+01 -0.571551D+02 -0.666787D+01 -0.360141D+01 -0.321378D+02
      6  -0.131815D+01 -0.345440D+00 -0.719734D+00 -0.442000D+01  0.124336D+02
               101           102           103           104           105 
      1   0.187541D+02 -0.309020D+02  0.335440D+02  0.798287D+00 -0.257798D+00
      2  -0.985408D+01  0.135736D+01 -0.250212D+02 -0.700791D+01 -0.104448D+02
      3  -0.890000D+01  0.295446D+02 -0.852284D+01  0.620962D+01  0.107026D+02
      4  -0.125395D+01  0.362528D+01 -0.427958D+01 -0.394494D+02 -0.164028D+01
      5   0.840154D+01  0.186567D+02  0.225787D+02 -0.456407D+00  0.172990D+02
      6  -0.136186D+00  0.486986D+00 -0.144513D+00 -0.171782D+02  0.103215D+00
               106           107           108           109           110 
      1  -0.632274D+01 -0.282960D+01  0.365818D+02 -0.103870D+03 -0.139298D+02
      2  -0.131209D+02 -0.483217D+01 -0.114193D+02  0.469072D+02  0.246010D+01
      3   0.194436D+02  0.766177D+01 -0.251625D+02  0.569626D+02  0.114697D+02
      4   0.587198D+01  0.198748D+01  0.142853D+02 -0.211167D+02 -0.183473D+02
      5   0.402307D+02  0.139947D+02  0.128282D+02  0.183780D+02  0.752845D+01
      6   0.387316D+01  0.174906D+01  0.111647D+02  0.636235D+01  0.139689D+01
               111           112           113           114           115 
      1   0.901617D+01 -0.255322D+02 -0.115720D+02  0.697691D+01 -0.198638D+02
      2  -0.425124D+01  0.738518D+01  0.112799D+02 -0.329312D+01  0.153900D+02
      3  -0.476494D+01  0.181470D+02  0.292107D+00 -0.368379D+01  0.447387D+01
      4   0.504892D+01  0.773743D+00 -0.175495D+02  0.345868D+00  0.628847D+01
      5  -0.695498D+01  0.137341D+02  0.220503D+01 -0.335245D+01  0.240726D+02
      6  -0.307283D+01  0.263752D+01  0.976133D+00  0.729787D+00  0.919585D+00
               116           117           118           119           120 
      1   0.597653D+01  0.249671D+02 -0.726928D+01 -0.630676D+01 -0.529796D+00
      2  -0.291820D+01 -0.576244D+01  0.848186D+01  0.252484D+01  0.200127D+00
      3  -0.305833D+01 -0.192047D+02 -0.121258D+01  0.378192D+01  0.329669D+00
      4  -0.386446D+00  0.217161D+01 -0.862446D+01  0.700388D+01 -0.696659D+00
      5   0.306450D+01 -0.658930D+01  0.350967D+00 -0.114501D+01  0.675957D+01
      6  -0.494550D+01 -0.347618D+01 -0.236254D+01  0.702504D+00 -0.185122D+00
               121           122           123           124           125 
      1  -0.920806D+01 -0.174301D+02  0.557527D+01 -0.151670D+01  0.218231D+01
      2   0.601404D+00  0.291672D+02 -0.433407D+01  0.109707D+01 -0.785738D+00
      3   0.860666D+01 -0.117371D+02 -0.124120D+01  0.419629D+00 -0.139657D+01
      4   0.157192D+02 -0.451370D+02  0.559057D+01 -0.632512D+00  0.434271D+01
      5  -0.102610D+01  0.534431D+01 -0.113135D+02  0.894883D+01 -0.577378D+01
      6   0.209517D+01 -0.105061D+02  0.620493D+01 -0.182315D+01  0.624247D+01
               126           127           128           129           130 
      1  -0.585921D+00  0.103195D+03 -0.132168D+02  0.197670D+02 -0.242588D+02
      2   0.456298D+00 -0.618017D+02  0.675054D+01 -0.169813D+02  0.140815D+02
      3   0.129623D+00 -0.413938D+02  0.646622D+01 -0.278578D+01  0.101773D+02
      4  -0.613234D+01 -0.195975D+02  0.154977D+02 -0.384223D+01  0.195657D+02
      5   0.471063D+01  0.587647D+02 -0.648515D+01  0.279538D+02 -0.168642D+02
      6  -0.240586D+01 -0.766371D+01  0.615669D+01 -0.194177D+01  0.720130D+01
               131           132           133           134           135 
      1   0.109232D+02 -0.355902D+01  0.963855D+01 -0.598167D+00  0.659046D+01
      2  -0.413958D+01  0.523893D+01 -0.895424D+01  0.174106D+01 -0.739115D+01
      3  -0.678360D+01 -0.167991D+01 -0.684306D+00 -0.114289D+01  0.800684D+00
      4  -0.531980D+01  0.451286D+01 -0.252481D+01  0.160328D+01 -0.439051D+01
      5   0.668500D+01 -0.106106D+02  0.170483D+02 -0.450527D+01  0.834830D+01
      6  -0.179996D+01  0.302065D+01 -0.229941D+01  0.137503D+01 -0.197846D+01
               136           137           138           139           140 
      1  -0.689427D+01 -0.462853D+01  0.228632D+02 -0.679687D+01 -0.695391D+01
      2  -0.472983D+00  0.136372D+01  0.233678D+01  0.453884D+01  0.134017D+01
      3   0.736725D+01  0.326481D+01 -0.252000D+02  0.225803D+01  0.561374D+01
      4  -0.336495D+01 -0.314211D+01  0.131917D+01  0.141224D+01 -0.616119D+00
      5   0.689853D+00 -0.814213D+00 -0.124030D+02 -0.508181D+01  0.516736D+01
      6  -0.237511D+01 -0.374263D+01  0.239321D+01 -0.207262D+00 -0.280032D+01
               141           142           143           144           145 
      1   0.747245D+01  0.107947D+02  0.409496D+01 -0.398274D+02  0.974770D+01
      2   0.300269D+01 -0.362860D+01  0.156892D+01 -0.140206D+02 -0.332196D+01
      3  -0.104751D+02 -0.716609D+01 -0.566388D+01  0.538480D+02 -0.642574D+01
      4   0.709978D+01 -0.422349D+00  0.660628D+01 -0.717394D+01  0.635594D+01
      5  -0.110653D+02  0.529271D+01 -0.492222D+01  0.393916D+02  0.501637D+01
      6   0.865281D+01 -0.257144D+00  0.728745D+01 -0.711506D+01  0.212759D+01
               146           147           148           149           150 
      1   0.541647D+01  0.444949D+01  0.119852D+02 -0.463665D+01 -0.172516D+01
      2  -0.198641D+01 -0.664810D+00 -0.600970D+01  0.139520D+02 -0.289435D+01
      3  -0.343006D+01 -0.378468D+01 -0.597548D+01 -0.931538D+01  0.461951D+01
      4   0.701123D+01  0.629405D+00  0.150393D+02  0.503961D+02  0.912238D+01
      5   0.214649D+01 -0.256837D+00  0.113510D+02  0.941112D+01  0.139130D+02
      6   0.184903D+01  0.145745D+00  0.571991D+01  0.240864D+02  0.828455D+01
               151           152           153           154           155 
      1  -0.556790D+00 -0.151144D+01 -0.516769D+01  0.203095D+03  0.221091D+02
      2   0.122532D+01 -0.999630D+00  0.171623D+01 -0.977330D+02 -0.844499D+01
      3  -0.668534D+00  0.251107D+01  0.345147D+01 -0.105362D+03 -0.136641D+02
      4   0.387837D+00  0.604653D+00  0.450629D+01  0.224004D+02  0.363737D+02
      5  -0.613552D+00  0.446282D+01  0.208604D+00 -0.379964D+02 -0.468668D+01
      6   0.952818D+00  0.443743D+01  0.183168D+01 -0.498591D+01 -0.512839D+01
               156           157           158           159           160 
      1  -0.968931D+01  0.336373D+02  0.336164D+02 -0.251186D+01 -0.117635D+02
      2   0.981600D+01 -0.147340D+02 -0.124754D+02  0.251453D+01  0.104319D+02
      3  -0.126690D+00 -0.189033D+02 -0.211411D+02 -0.266346D-02  0.133160D+01
      4  -0.176825D+01  0.473666D+02  0.255283D+02 -0.372180D+01 -0.320638D+01
      5   0.391071D+02 -0.960786D+01 -0.827451D+01  0.100914D+02  0.371248D+02
      6  -0.200545D+00 -0.925577D+01 -0.486842D+01  0.517246D+01  0.204949D+01
               161           162           163           164           165 
      1  -0.173233D+01  0.207146D+02  0.503650D+02  0.415983D+01 -0.157209D+02
      2   0.141616D+01 -0.150960D+02 -0.357081D+02 -0.128512D+01  0.976666D+01
      3   0.316171D+00 -0.561856D+01 -0.146569D+02 -0.287471D+01  0.595424D+01
      4  -0.261524D+01  0.484500D+01 -0.146550D+01  0.720608D+01  0.373574D+01
      5   0.662552D+01 -0.731581D+01 -0.342061D+02  0.159561D+01  0.184309D+02
      6   0.478787D+01 -0.161208D+01  0.710357D+00 -0.125080D+01 -0.126249D+01
               166           167           168           169           170 
      1   0.124138D+02 -0.841451D+01 -0.351898D+01  0.179943D+01 -0.318335D+01
      2  -0.660662D+01  0.315979D+01  0.239598D+01  0.143648D+01  0.773114D+00
      3  -0.580719D+01  0.525472D+01  0.112299D+01 -0.323591D+01  0.241023D+01
      4   0.398578D+01 -0.457956D+01 -0.111738D+02  0.505664D+01 -0.659531D+01
      5  -0.433434D+01 -0.107598D+02 -0.397600D+00  0.150594D+02 -0.683009D+01
      6  -0.114714D+01  0.444108D+01  0.119708D+02 -0.351990D+01  0.121683D+02
               171           172           173           174           175 
      1  -0.338696D+02 -0.492893D+02 -0.573961D+01 -0.564883D+01 -0.922092D+01
      2  -0.108351D+02  0.314607D+02  0.272292D+01 -0.499099D+01  0.558881D+01
      3   0.447047D+02  0.178285D+02  0.301669D+01  0.106398D+02  0.363210D+01
      4  -0.833031D+01  0.215949D+01 -0.462451D+01 -0.305817D+01  0.537705D+00
      5  -0.433436D+02  0.267207D+02 -0.158967D+01 -0.155774D+02  0.286128D+01
      6   0.982112D+01  0.811314D-02  0.410809D+01  0.408929D+01  0.665218D+00
               176           177           178           179           180 
      1  -0.608198D+01 -0.223280D+01  0.985126D+01 -0.675412D+00 -0.890887D+01
      2   0.412207D+01  0.675708D+00 -0.114993D+02  0.304290D+00  0.477682D+01
      3   0.195991D+01  0.155709D+01  0.164808D+01  0.371121D+00  0.413205D+01
      4  -0.214151D+01 -0.312117D+01 -0.177837D+01  0.684172D+00  0.776044D+00
      5  -0.214946D+01 -0.233993D+01 -0.111683D+02  0.536552D+00  0.316109D+01
      6   0.237713D+01  0.350627D+01  0.297695D+01  0.782902D+00  0.100351D+00
               181           182           183           184           185 
      1   0.535252D+00 -0.519765D+02  0.362452D+01  0.951836D+02  0.261909D+02
      2   0.236390D+01  0.374196D+02 -0.991427D+00 -0.655515D+02 -0.229389D+02
      3  -0.289915D+01  0.145569D+02 -0.263309D+01 -0.296321D+02 -0.325195D+01
      4  -0.165050D+02  0.442776D+02 -0.680907D+01  0.153039D+02 -0.392324D+02
      5  -0.502467D+01 -0.885444D+01  0.159035D+02  0.632543D+01  0.748438D+01
      6  -0.386803D+01 -0.314851D+01  0.781850D+01  0.627893D+01  0.288055D+01
               186           187           188           189           190 
      1   0.386127D+01 -0.145140D+02 -0.836557D+01  0.546592D+01  0.136150D+03
      2  -0.242487D+01  0.130905D+02  0.683893D+01 -0.968599D+01 -0.683559D+02
      3  -0.143639D+01  0.142347D+01  0.152664D+01  0.422007D+01 -0.677940D+02
      4   0.817988D+01 -0.234710D+01  0.110630D+02  0.177597D+02 -0.521568D+00
      5   0.593857D+01  0.328802D+02  0.157596D+02 -0.243969D+01 -0.151216D+01
      6   0.293544D+01  0.169517D+02  0.799334D+01  0.278731D+01 -0.179028D+01
               191           192           193           194           195 
      1   0.186455D+02  0.619117D+01 -0.503572D+02 -0.229350D+02  0.132385D+01
      2  -0.883171D+01 -0.187060D+01  0.434867D+02  0.271850D+02 -0.289497D+01
      3  -0.981376D+01 -0.432057D+01  0.687043D+01 -0.425006D+01  0.157112D+01
      4   0.326070D+02 -0.319731D+01 -0.159280D+02  0.621213D+02 -0.835249D+01
      5  -0.290564D+01 -0.230008D+00  0.395751D+01 -0.756539D+01  0.741350D+00
      6  -0.217651D+01 -0.215088D+01 -0.707147D+01 -0.377517D+01 -0.240860D+01
               196           197           198           199           200 
      1   0.734254D+01  0.632855D+01  0.261337D+02 -0.114112D+03 -0.340424D+01
      2  -0.646324D+01 -0.543659D+01 -0.228585D+02  0.437551D+02 -0.344470D+01
      3  -0.879308D+00 -0.891961D+00 -0.327513D+01  0.703572D+02  0.684894D+01
      4   0.755705D+01 -0.417874D+01 -0.132711D+01 -0.500982D+01 -0.333882D+02
      5   0.510159D+02  0.370517D+01  0.346731D+01 -0.213759D+01  0.764230D+01
      6  -0.229574D+01  0.279800D+01  0.142664D+01  0.702886D+01  0.197807D+00
               201           202           203           204           205 
      1  -0.618567D+01 -0.721017D+02 -0.221250D+01 -0.661194D+01 -0.862257D-01
      2   0.293322D+01  0.436756D+02 -0.116513D+02  0.553746D+01 -0.228531D+01
      3   0.325246D+01  0.284261D+02  0.138639D+02  0.107448D+01  0.237153D+01
      4   0.575492D+01  0.272703D+01 -0.194547D+02 -0.137468D+01  0.181336D+01
      5   0.286036D+01 -0.239877D+01 -0.216195D+01 -0.729712D+01  0.109878D+01
      6   0.511689D+00 -0.899871D+00  0.603298D+01  0.395831D+01 -0.230372D+01
               206           207           208           209           210 
      1   0.232472D+00 -0.212782D+02 -0.114129D+02 -0.267906D+02 -0.187256D+01
      2   0.417538D+01  0.484586D+01  0.336473D+01  0.138633D+02 -0.640122D+00
      3  -0.440786D+01  0.164323D+02  0.804813D+01  0.129273D+02  0.251269D+01
      4  -0.764442D+01 -0.228497D+02 -0.229671D+02  0.967738D+01  0.391290D+00
      5  -0.251269D+02  0.323091D+01  0.185022D+01  0.815735D+00  0.280445D+02
      6   0.171908D+02 -0.112052D+01  0.344666D+00  0.192052D+01  0.250524D+01
               211           212           213           214           215 
      1   0.260096D+01  0.107763D+02 -0.191028D+01 -0.204162D+01 -0.263080D+01
      2  -0.654598D+01 -0.228593D+01  0.159228D+01 -0.582609D-01  0.219941D+01
      3   0.394502D+01 -0.849041D+01  0.318001D+00  0.209988D+01  0.431391D+00
      4   0.353216D+02 -0.214797D+02  0.422349D+01 -0.395736D+01  0.135190D+01
      5  -0.449479D+01  0.250706D+01  0.493167D+01  0.943504D+01 -0.627482D+01
      6   0.176159D+01 -0.513780D+00  0.709622D+01 -0.344955D+01  0.465728D+01
               216           217           218           219           220 
      1  -0.498401D+00 -0.285953D+02  0.503524D+02 -0.501443D+01  0.499507D+02
      2  -0.112518D+00  0.166698D+02 -0.258604D+02  0.289929D+01 -0.224212D+02
      3   0.610919D+00  0.119255D+02 -0.244921D+02  0.211514D+01 -0.275295D+02
      4  -0.708634D+01  0.494760D+02 -0.771825D+01  0.751480D+01 -0.382116D+02
      5   0.380245D+01 -0.585423D+01  0.784682D+01 -0.172680D+02  0.117910D+02
      6  -0.154301D+01  0.300507D+01 -0.201625D+00 -0.252999D+01 -0.270168D+01
               221           222           223           224           225 
      1  -0.148431D+02  0.148609D+02 -0.265904D+01  0.119880D+02 -0.104684D+02
      2   0.854197D+01 -0.664233D+01  0.186531D+00 -0.582270D+01  0.631459D+01
      3   0.630115D+01 -0.821862D+01  0.247251D+01 -0.616533D+01  0.415379D+01
      4  -0.191728D+02 -0.126661D+02  0.980781D+01 -0.862968D+01 -0.471048D+02
      5  -0.117691D+02 -0.685865D+02 -0.328743D+02 -0.484378D+02  0.141005D+02
      6  -0.356660D+01 -0.128500D+02 -0.103921D+02 -0.983462D+01 -0.118786D+01
               226           227           228           229           230 
      1  -0.445743D+01  0.123862D+02 -0.184959D+01  0.245909D+01 -0.497546D+02
      2   0.562564D+01 -0.111752D+02  0.123746D+01 -0.968019D+00  0.633040D+02
      3  -0.116821D+01 -0.121098D+01  0.612137D+00 -0.149107D+01 -0.135495D+02
      4   0.274464D+01  0.495550D+01 -0.608047D-01  0.459393D+01  0.263650D+02
      5  -0.599235D+00  0.109155D+00  0.944918D+00 -0.409663D+00 -0.510918D+01
      6  -0.102782D+01  0.181522D+01 -0.140217D+01 -0.225507D+00 -0.961227D+01
               231           232           233           234           235 
      1   0.551109D+01 -0.751256D+00  0.644561D+01 -0.244218D+01  0.380042D+02
      2  -0.517233D+01  0.512728D+00 -0.707923D+01  0.272037D+01 -0.122069D+02
      3  -0.338756D+00  0.238528D+00  0.633621D+00 -0.278195D+00 -0.257973D+02
      4  -0.303862D+01 -0.582483D-01 -0.294016D+01 -0.848010D+00  0.373503D+02
      5   0.320444D+01  0.153209D+01 -0.162642D+00 -0.659326D-01 -0.145708D+01
      6   0.818487D+01  0.157148D+00  0.361228D+01 -0.169390D+01  0.225638D-01
               236           237           238           239           240 
      1   0.169760D+02  0.751558D+00  0.259465D+02  0.101896D+02  0.748640D-01
      2  -0.216810D+01 -0.269233D+00 -0.252449D+01  0.781979D+01  0.755121D-01
      3  -0.148079D+02 -0.482326D+00 -0.234220D+02 -0.180094D+02 -0.150376D+00
      4   0.263944D+02  0.162695D+00  0.390564D+02  0.380931D+02 -0.720930D+00
      5  -0.120609D+01  0.414156D+01 -0.284365D+01 -0.264123D+01  0.541478D+01
      6  -0.201983D+00  0.219545D+01 -0.126410D+01 -0.900581D+00  0.389950D+01
               241           242           243           244           245 
      1   0.246511D+00  0.828965D-01 -0.122169D+01 -0.197043D+01 -0.525047D+01
      2  -0.926596D+00 -0.608068D+00  0.100930D+01  0.532818D+01 -0.167875D+01
      3   0.680086D+00  0.525172D+00  0.212394D+00 -0.335775D+01  0.692922D+01
      4  -0.126340D+01 -0.167131D+01  0.169700D+01 -0.152115D+02  0.171553D+02
      5  -0.183785D+01  0.137076D+01 -0.652373D+00  0.117355D+01 -0.176907D+01
      6  -0.795494D+00  0.142575D+01 -0.488266D+00 -0.940586D+00  0.128821D+01
               246           247           248           249           250 
      1   0.210765D+00 -0.168153D+01 -0.206172D+02  0.249119D+01 -0.155332D+00
      2   0.182456D+00 -0.826916D+01  0.366498D+02 -0.305267D+01  0.724313D+00
      3  -0.393221D+00  0.995069D+01 -0.160325D+02  0.561482D+00 -0.568981D+00
      4  -0.250985D+01  0.241770D+02 -0.516490D+02  0.595075D+01 -0.339873D+01
      5   0.249861D+01 -0.196390D+01  0.351555D+01 -0.608896D+01  0.218484D+01
      6  -0.143349D+01  0.175844D+01 -0.514925D+01  0.703292D+01 -0.246059D+01
               251           252           253           254           255 
      1   0.172726D+01 -0.147843D+01  0.176823D+02  0.517501D+01 -0.159088D+02
      2  -0.337128D+01  0.269100D+01 -0.946954D+01 -0.230702D+01  0.786377D+01
      3   0.164401D+01 -0.121257D+01 -0.821280D+01 -0.286800D+01  0.804506D+01
      4   0.678088D+01 -0.193030D+01  0.656465D+01  0.499240D+01 -0.694517D+01
      5  -0.667864D+00  0.107498D+01 -0.188249D+02 -0.669729D+01  0.833524D+01
      6   0.305824D+01 -0.176039D+01 -0.271663D+01 -0.861929D+00  0.362253D+00
               256           257           258           259           260 
      1   0.211430D+02  0.112006D+02 -0.955993D+01 -0.516131D+02 -0.107449D+02
      2  -0.105069D+02 -0.363037D+01  0.409306D+01  0.294109D+02  0.528294D+01
      3  -0.106361D+02 -0.757026D+01  0.546686D+01  0.222022D+02  0.546198D+01
      4   0.255804D+02  0.245561D+02 -0.172559D+02 -0.209537D+02 -0.211455D+02
      5  -0.180151D+02 -0.179706D+02  0.301797D+02  0.421810D+02  0.270564D+02
      6  -0.349235D+01 -0.433652D+01  0.742269D+01  0.685011D+01  0.695859D+01
               261           262           263           264           265 
      1   0.164247D+02  0.743690D+01  0.486979D+01  0.133409D+02  0.219854D+02
      2  -0.149098D+02 -0.456602D+01 -0.232037D+01 -0.620820D+01 -0.112054D+02
      3  -0.151493D+01 -0.287088D+01 -0.254942D+01 -0.713268D+01 -0.107800D+02
      4   0.257362D+02  0.490155D+01  0.321426D+01  0.336703D+01  0.292624D+02
      5  -0.609022D+02  0.131608D+02  0.300371D+01  0.243041D+01  0.181943D+02
      6  -0.809670D+01  0.245031D+01  0.114509D+00 -0.404437D+00  0.646971D+01
               266           267           268           269           270 
      1   0.828903D+01  0.397808D+01  0.371179D+02  0.361918D+01  0.747190D+01
      2  -0.135154D+01 -0.264362D+01 -0.215411D+02 -0.278371D+01 -0.115512D+02
      3  -0.693750D+01 -0.133446D+01 -0.155768D+02 -0.835475D+00  0.407931D+01
      4   0.375541D+02  0.265431D+02  0.181865D+02  0.263894D+02  0.300106D+02
      5   0.260827D+02  0.353659D+02  0.342742D+02  0.303934D+02  0.478331D+02
      6   0.989553D+01  0.106476D+02  0.801903D+01  0.100473D+02  0.112795D+02
               271           272           273           274           275 
      1   0.164703D+03 -0.380177D+02  0.135637D+02 -0.779102D+02  0.288414D+02
      2  -0.847575D+02  0.190115D+02 -0.792140D+01  0.389405D+02 -0.128753D+02
      3  -0.799456D+02  0.190062D+02 -0.564227D+01  0.389697D+02 -0.159661D+02
      4  -0.454650D+02  0.233140D+02 -0.419302D+01  0.385296D+02 -0.285349D+02
      5   0.168443D+02 -0.409580D+01  0.180667D+02 -0.822967D+01  0.493946D+01
      6  -0.176279D+01  0.101312D+01 -0.921983D+00  0.177728D+01 -0.129624D+01
               276           277           278           279 
      1  -0.675489D+01  0.171444D+02 -0.438920D+01  0.167594D+02
      2   0.389972D+01 -0.101783D+02  0.255482D+01 -0.985231D+01
      3   0.285517D+01 -0.696614D+01  0.183437D+01 -0.690707D+01
      4   0.510415D+01 -0.519782D+01  0.445383D+01 -0.201246D+01
      5  -0.756694D+01  0.244585D+02 -0.179052D+01  0.554435D+01
      6   0.238411D+01 -0.172672D+01  0.278030D+01 -0.587669D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:38:29 2021, MaxMem=  5368709120 cpu:           27669.8 elap:            3467.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31020 -19.30825 -19.25093 -10.43441 -10.37777
 Alpha  occ. eigenvalues --  -10.36538 -10.33346 -10.32787 -10.32638 -10.32265
 Alpha  occ. eigenvalues --  -10.32216 -10.32071 -10.31952 -10.31728 -10.31648
 Alpha  occ. eigenvalues --  -10.30724 -10.29762  -1.19730  -1.17416  -1.11433
 Alpha  occ. eigenvalues --   -0.99176  -0.94762  -0.90153  -0.88533  -0.84398
 Alpha  occ. eigenvalues --   -0.84245  -0.79627  -0.75614  -0.73850  -0.71258
 Alpha  occ. eigenvalues --   -0.70773  -0.69287  -0.64120  -0.63083  -0.62346
 Alpha  occ. eigenvalues --   -0.59367  -0.57508  -0.57229  -0.57082  -0.54974
 Alpha  occ. eigenvalues --   -0.54657  -0.53660  -0.52190  -0.51649  -0.51357
 Alpha  occ. eigenvalues --   -0.50583  -0.50307  -0.48995  -0.48343  -0.46074
 Alpha  occ. eigenvalues --   -0.45338  -0.44990  -0.44346  -0.43409  -0.42145
 Alpha  occ. eigenvalues --   -0.41131  -0.40668  -0.38394  -0.36082  -0.32676
 Alpha  occ. eigenvalues --   -0.29410
 Alpha virt. eigenvalues --    0.00176   0.03503   0.06589   0.06918   0.07783
 Alpha virt. eigenvalues --    0.08405   0.09402   0.10638   0.10699   0.11450
 Alpha virt. eigenvalues --    0.12082   0.12899   0.13381   0.14076   0.14331
 Alpha virt. eigenvalues --    0.15492   0.16014   0.16807   0.16956   0.17112
 Alpha virt. eigenvalues --    0.18058   0.18396   0.18849   0.19009   0.19478
 Alpha virt. eigenvalues --    0.20083   0.20811   0.21578   0.21859   0.22162
 Alpha virt. eigenvalues --    0.22673   0.23294   0.23792   0.24122   0.24733
 Alpha virt. eigenvalues --    0.25242   0.25540   0.26023   0.26559   0.27038
 Alpha virt. eigenvalues --    0.27217   0.27979   0.28431   0.28846   0.29411
 Alpha virt. eigenvalues --    0.29562   0.30303   0.30738   0.31310   0.31482
 Alpha virt. eigenvalues --    0.31824   0.32331   0.32776   0.33296   0.33723
 Alpha virt. eigenvalues --    0.33941   0.34574   0.35175   0.35948   0.35995
 Alpha virt. eigenvalues --    0.36308   0.36689   0.37048   0.37624   0.37897
 Alpha virt. eigenvalues --    0.38461   0.39058   0.39102   0.39317   0.39530
 Alpha virt. eigenvalues --    0.39692   0.40527   0.41191   0.41279   0.41910
 Alpha virt. eigenvalues --    0.42200   0.42488   0.42781   0.43036   0.43102
 Alpha virt. eigenvalues --    0.43457   0.43807   0.44200   0.44390   0.44681
 Alpha virt. eigenvalues --    0.44934   0.45192   0.45838   0.46421   0.46483
 Alpha virt. eigenvalues --    0.46653   0.46893   0.46916   0.47898   0.48524
 Alpha virt. eigenvalues --    0.49014   0.49122   0.49562   0.50065   0.50318
 Alpha virt. eigenvalues --    0.50617   0.50918   0.51496   0.51784   0.52506
 Alpha virt. eigenvalues --    0.52796   0.52853   0.53236   0.53574   0.54163
 Alpha virt. eigenvalues --    0.54885   0.55114   0.55587   0.55970   0.56526
 Alpha virt. eigenvalues --    0.57181   0.57452   0.57933   0.58325   0.58706
 Alpha virt. eigenvalues --    0.58953   0.59369   0.59486   0.59965   0.60037
 Alpha virt. eigenvalues --    0.60764   0.61291   0.62111   0.62423   0.62861
 Alpha virt. eigenvalues --    0.63271   0.63388   0.63887   0.65170   0.65327
 Alpha virt. eigenvalues --    0.65645   0.66081   0.67173   0.67533   0.68254
 Alpha virt. eigenvalues --    0.68397   0.68818   0.69197   0.69574   0.70394
 Alpha virt. eigenvalues --    0.71266   0.71883   0.72420   0.73047   0.73520
 Alpha virt. eigenvalues --    0.74038   0.74893   0.75179   0.75764   0.75925
 Alpha virt. eigenvalues --    0.76297   0.76861   0.77335   0.77886   0.78638
 Alpha virt. eigenvalues --    0.78895   0.79508   0.79719   0.80573   0.80811
 Alpha virt. eigenvalues --    0.81327   0.81894   0.82159   0.83240   0.83823
 Alpha virt. eigenvalues --    0.84548   0.85387   0.85871   0.86705   0.87418
 Alpha virt. eigenvalues --    0.88002   0.89648   0.90157   0.91224   0.91893
 Alpha virt. eigenvalues --    0.92702   0.93418   0.93885   0.94709   0.95456
 Alpha virt. eigenvalues --    0.96949   0.97145   0.97796   0.98565   0.99123
 Alpha virt. eigenvalues --    1.00291   1.00653   1.01330   1.02556   1.03876
 Alpha virt. eigenvalues --    1.04541   1.06043   1.06124   1.06762   1.07929
 Alpha virt. eigenvalues --    1.08151   1.09143   1.09701   1.10142   1.10643
 Alpha virt. eigenvalues --    1.11183   1.11609   1.12158   1.12613   1.13506
 Alpha virt. eigenvalues --    1.14356   1.14521   1.16177   1.16542   1.18561
 Alpha virt. eigenvalues --    1.18983   1.20111   1.21850   1.22474   1.23437
 Alpha virt. eigenvalues --    1.24617   1.25395   1.26124   1.26820   1.27595
 Alpha virt. eigenvalues --    1.27897   1.28828   1.31040   1.31543   1.31972
 Alpha virt. eigenvalues --    1.33528   1.34865   1.34946   1.36011   1.37419
 Alpha virt. eigenvalues --    1.37827   1.39117   1.39749   1.39976   1.41085
 Alpha virt. eigenvalues --    1.41560   1.44062   1.44227   1.45965   1.47106
 Alpha virt. eigenvalues --    1.47748   1.49659   1.49701   1.52264   1.54828
 Alpha virt. eigenvalues --    1.55158   1.55887   1.56941   1.57739   1.59230
 Alpha virt. eigenvalues --    1.59520   1.60362   1.61995   1.63525   1.65262
 Alpha virt. eigenvalues --    1.66144   1.67923   1.68059   1.68905   1.69554
 Alpha virt. eigenvalues --    1.70689   1.71260   1.71960   1.73391   1.74497
 Alpha virt. eigenvalues --    1.74936   1.75937   1.77488   1.78901   1.80891
 Alpha virt. eigenvalues --    1.81020   1.82700   1.83190   1.84533   1.85041
 Alpha virt. eigenvalues --    1.85792   1.86270   1.87453   1.89214   1.89944
 Alpha virt. eigenvalues --    1.91935   1.92647   1.93624   1.95938   1.96070
 Alpha virt. eigenvalues --    1.96735   1.97448   1.97894   1.99125   2.00067
 Alpha virt. eigenvalues --    2.00249   2.01433   2.01829   2.03540   2.04797
 Alpha virt. eigenvalues --    2.06619   2.07161   2.07903   2.09205   2.10575
 Alpha virt. eigenvalues --    2.10890   2.11963   2.12712   2.12863   2.15071
 Alpha virt. eigenvalues --    2.15231   2.16228   2.16717   2.18546   2.19038
 Alpha virt. eigenvalues --    2.20031   2.20810   2.21662   2.22806   2.24136
 Alpha virt. eigenvalues --    2.24422   2.25960   2.28173   2.29234   2.30499
 Alpha virt. eigenvalues --    2.32334   2.34726   2.35120   2.36312   2.37240
 Alpha virt. eigenvalues --    2.37869   2.39426   2.41337   2.42092   2.43035
 Alpha virt. eigenvalues --    2.44265   2.46534   2.46943   2.48857   2.50346
 Alpha virt. eigenvalues --    2.51810   2.51879   2.54554   2.55284   2.55810
 Alpha virt. eigenvalues --    2.56940   2.58694   2.61422   2.62300   2.63257
 Alpha virt. eigenvalues --    2.63964   2.64654   2.66065   2.67809   2.68839
 Alpha virt. eigenvalues --    2.72750   2.74701   2.75556   2.79007   2.80939
 Alpha virt. eigenvalues --    2.86474   2.87783   2.89515   2.94708   2.95132
 Alpha virt. eigenvalues --    2.96441   2.99691   3.00517   3.01383   3.01656
 Alpha virt. eigenvalues --    3.02948   3.03889   3.04650   3.06625   3.08300
 Alpha virt. eigenvalues --    3.09308   3.11302   3.13063   3.16336   3.17147
 Alpha virt. eigenvalues --    3.18350   3.18869   3.20607   3.22438   3.23919
 Alpha virt. eigenvalues --    3.24916   3.27560   3.28654   3.30792   3.34888
 Alpha virt. eigenvalues --    3.36089   3.39018   3.55020   3.56836   3.65413
 Alpha virt. eigenvalues --    3.68747   3.73405   3.88307   3.93065   4.07850
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.552334  -0.659318  -1.183150   0.276305  -0.261302  -0.238502
     2  C   -0.659318  10.750745   0.087118  -0.880658   0.417596  -1.091977
     3  C   -1.183150   0.087118   9.699190  -0.854692  -0.208446  -0.145043
     4  C    0.276305  -0.880658  -0.854692  12.176586  -1.533685   0.432540
     5  C   -0.261302   0.417596  -0.208446  -1.533685   8.884296  -0.405358
     6  C   -0.238502  -1.091977  -0.145043   0.432540  -0.405358   8.296610
     7  C   -0.946312  -0.625104  -0.414061   0.097139   0.074457   0.207139
     8  H   -0.604589   0.166344  -0.073266  -1.604951   0.164841   0.115371
     9  H    0.180641  -0.040997  -0.024687  -0.971159   0.099087  -0.445316
    10  H    0.062708  -0.682091   0.117770   0.011280  -0.504888  -0.158666
    11  C    0.000123   0.042638  -0.579627   0.096352  -0.507922  -0.003016
    12  C    0.001947   0.004505   0.002054  -0.019602  -0.031865   0.000231
    13  C    0.004508  -0.001216  -0.161610   0.274403  -0.226985  -0.005677
    14  H   -0.011714  -0.012313  -0.147304  -0.186736   0.115074   0.013710
    15  H   -0.000137  -0.000122  -0.021676   0.005260  -0.011965  -0.000682
    16  H   -0.000059   0.001375   0.048343  -0.049791   0.011516  -0.000616
    17  H    0.001426   0.001638   0.008056  -0.036231  -0.004259   0.003966
    18  O   -0.000365  -0.000156   0.033314  -0.040095   0.048708  -0.002199
    19  O   -0.005148  -0.001990   0.016233  -0.028458   0.011830   0.006673
    20  H    0.000311  -0.003333  -0.009846  -0.027172  -0.006674   0.001217
    21  C    0.385263  -0.502144   0.094050  -0.036130   0.012668   0.018155
    22  C   -0.531999   0.146771   0.028796   0.015212   0.000695   0.153300
    23  C   -0.485391  -0.640069   0.047196   0.127365   0.001835  -0.812102
    24  O    0.015548   0.063788  -0.001005  -0.002245  -0.001220  -0.006508
    25  C    0.000439  -0.001763  -0.000552  -0.000069   0.000001   0.000406
    26  H   -0.073672   0.042368  -0.179118   0.022910  -0.007828  -0.021987
    27  H    0.017797   0.135321   0.016270   0.001656  -0.000617  -0.000698
    28  H    0.036147  -0.100958   0.000360  -0.016163   0.017823   0.025869
    29  H    0.000329  -0.001715  -0.000063  -0.000002   0.000005  -0.000112
    30  H    0.000341  -0.001697  -0.000086  -0.000002   0.000005  -0.000121
    31  H   -0.001237  -0.000093   0.000026   0.000000  -0.000002   0.000060
               7          8          9         10         11         12
     1  C   -0.946312  -0.604589   0.180641   0.062708   0.000123   0.001947
     2  C   -0.625104   0.166344  -0.040997  -0.682091   0.042638   0.004505
     3  C   -0.414061  -0.073266  -0.024687   0.117770  -0.579627   0.002054
     4  C    0.097139  -1.604951  -0.971159   0.011280   0.096352  -0.019602
     5  C    0.074457   0.164841   0.099087  -0.504888  -0.507922  -0.031865
     6  C    0.207139   0.115371  -0.445316  -0.158666  -0.003016   0.000231
     7  C    8.497691  -0.187272  -0.004942   0.004276  -0.007244  -0.000413
     8  H   -0.187272   2.873905   0.033415  -0.014796  -0.297242  -0.029253
     9  H   -0.004942   0.033415   2.930945  -0.602487  -0.245147  -0.015317
    10  H    0.004276  -0.014796  -0.602487   2.576670  -0.004032   0.001075
    11  C   -0.007244  -0.297242  -0.245147  -0.004032   7.279483   0.404420
    12  C   -0.000413  -0.029253  -0.015317   0.001075   0.404420   4.171944
    13  C    0.001871  -0.081640  -0.019168   0.003076  -0.185924   0.046055
    14  H    0.001672   0.021434   0.020092  -0.000450   0.137317  -0.152411
    15  H    0.000008  -0.005759  -0.001378  -0.000016   0.183878   0.207245
    16  H   -0.000491   0.018247  -0.011611   0.000457   0.152975   0.196943
    17  H    0.000122   0.001656   0.011059   0.001022   0.064407   0.271049
    18  O   -0.000149   0.008684   0.003052  -0.000459  -0.061547  -0.011841
    19  O   -0.001502   0.003574  -0.000209   0.001517   0.025666   0.007146
    20  H    0.000839   0.004792  -0.007717   0.000473  -0.050057   0.000914
    21  C   -0.094561   0.052103   0.000097  -0.009810  -0.000892   0.000039
    22  C    0.558797  -0.011164  -0.001603   0.027089  -0.000358  -0.000010
    23  C   -0.409012   0.002476   0.013119  -0.265810  -0.001962   0.000038
    24  O   -0.014453  -0.000010   0.000054   0.000378   0.000026   0.000002
    25  C    0.024089  -0.000072  -0.000002   0.000049  -0.000001  -0.000000
    26  H   -0.437958  -0.122263   0.000333   0.000491  -0.000582  -0.000146
    27  H   -0.324637   0.001051   0.000003   0.000141  -0.000015   0.000001
    28  H    0.044042   0.001362  -0.002431  -0.022713  -0.000315   0.000032
    29  H    0.001685  -0.000003  -0.000000  -0.000005  -0.000000   0.000000
    30  H    0.002295  -0.000004  -0.000000  -0.000006   0.000000  -0.000000
    31  H   -0.001973   0.000000   0.000000   0.000002  -0.000000   0.000000
              13         14         15         16         17         18
     1  C    0.004508  -0.011714  -0.000137  -0.000059   0.001426  -0.000365
     2  C   -0.001216  -0.012313  -0.000122   0.001375   0.001638  -0.000156
     3  C   -0.161610  -0.147304  -0.021676   0.048343   0.008056   0.033314
     4  C    0.274403  -0.186736   0.005260  -0.049791  -0.036231  -0.040095
     5  C   -0.226985   0.115074  -0.011965   0.011516  -0.004259   0.048708
     6  C   -0.005677   0.013710  -0.000682  -0.000616   0.003966  -0.002199
     7  C    0.001871   0.001672   0.000008  -0.000491   0.000122  -0.000149
     8  H   -0.081640   0.021434  -0.005759   0.018247   0.001656   0.008684
     9  H   -0.019168   0.020092  -0.001378  -0.011611   0.011059   0.003052
    10  H    0.003076  -0.000450  -0.000016   0.000457   0.001022  -0.000459
    11  C   -0.185924   0.137317   0.183878   0.152975   0.064407  -0.061547
    12  C    0.046055  -0.152411   0.207245   0.196943   0.271049  -0.011841
    13  C    5.609938  -0.187013  -0.035432  -0.024541   0.058906   0.096749
    14  H   -0.187013   1.126256   0.019495  -0.014647  -0.006474   0.006576
    15  H   -0.035432   0.019495   0.617440  -0.051992  -0.003189   0.007811
    16  H   -0.024541  -0.014647  -0.051992   0.666549   0.014284   0.008011
    17  H    0.058906  -0.006474  -0.003189   0.014284   0.653372  -0.003088
    18  O    0.096749   0.006576   0.007811   0.008011  -0.003088   8.400148
    19  O   -0.117579   0.004358   0.005059   0.000425  -0.006536   0.034285
    20  H    0.126876   0.005826  -0.000247   0.000658  -0.000091  -0.013834
    21  C   -0.000184  -0.000061  -0.000001   0.000020  -0.000002   0.000012
    22  C    0.000262  -0.000101   0.000000  -0.000015  -0.000005  -0.000013
    23  C    0.000255  -0.000158  -0.000002   0.000022   0.000035  -0.000010
    24  O   -0.000005   0.000001   0.000000   0.000001   0.000000  -0.000000
    25  C    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    26  H    0.000128   0.000905  -0.000004  -0.000022   0.000008  -0.000005
    27  H    0.000003  -0.000002   0.000000  -0.000000   0.000000  -0.000000
    28  H    0.000083  -0.000006   0.000000   0.000004   0.000001  -0.000004
    29  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    30  H    0.000000  -0.000000   0.000000  -0.000000   0.000000  -0.000000
    31  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C   -0.005148   0.000311   0.385263  -0.531999  -0.485391   0.015548
     2  C   -0.001990  -0.003333  -0.502144   0.146771  -0.640069   0.063788
     3  C    0.016233  -0.009846   0.094050   0.028796   0.047196  -0.001005
     4  C   -0.028458  -0.027172  -0.036130   0.015212   0.127365  -0.002245
     5  C    0.011830  -0.006674   0.012668   0.000695   0.001835  -0.001220
     6  C    0.006673   0.001217   0.018155   0.153300  -0.812102  -0.006508
     7  C   -0.001502   0.000839  -0.094561   0.558797  -0.409012  -0.014453
     8  H    0.003574   0.004792   0.052103  -0.011164   0.002476  -0.000010
     9  H   -0.000209  -0.007717   0.000097  -0.001603   0.013119   0.000054
    10  H    0.001517   0.000473  -0.009810   0.027089  -0.265810   0.000378
    11  C    0.025666  -0.050057  -0.000892  -0.000358  -0.001962   0.000026
    12  C    0.007146   0.000914   0.000039  -0.000010   0.000038   0.000002
    13  C   -0.117579   0.126876  -0.000184   0.000262   0.000255  -0.000005
    14  H    0.004358   0.005826  -0.000061  -0.000101  -0.000158   0.000001
    15  H    0.005059  -0.000247  -0.000001   0.000000  -0.000002   0.000000
    16  H    0.000425   0.000658   0.000020  -0.000015   0.000022   0.000001
    17  H   -0.006536  -0.000091  -0.000002  -0.000005   0.000035   0.000000
    18  O    0.034285  -0.013834   0.000012  -0.000013  -0.000010  -0.000000
    19  O    8.299836   0.169723   0.000069   0.000032  -0.000275   0.000002
    20  H    0.169723   0.536280  -0.000103   0.000001   0.000102  -0.000004
    21  C    0.000069  -0.000103   7.355118  -0.893052  -0.067565   0.097333
    22  C    0.000032   0.000001  -0.893052   7.617650  -0.412978  -0.039563
    23  C   -0.000275   0.000102  -0.067565  -0.412978   9.537772  -0.012577
    24  O    0.000002  -0.000004   0.097333  -0.039563  -0.012577   8.751835
    25  C   -0.000000  -0.000000  -0.012164   0.096005   0.001506   0.123373
    26  H   -0.000412   0.000198  -0.472579   0.039466   0.044735   0.015458
    27  H    0.000003  -0.000002  -0.301050  -0.452858   0.040504  -0.223310
    28  H   -0.000021  -0.000014   0.094443  -0.610105  -0.460743   0.056643
    29  H   -0.000000  -0.000000   0.008377  -0.005949   0.000523   0.077529
    30  H   -0.000000   0.000000   0.006800  -0.006764   0.000982   0.079263
    31  H    0.000000  -0.000000   0.057936   0.018423   0.008054  -0.177682
              25         26         27         28         29         30
     1  C    0.000439  -0.073672   0.017797   0.036147   0.000329   0.000341
     2  C   -0.001763   0.042368   0.135321  -0.100958  -0.001715  -0.001697
     3  C   -0.000552  -0.179118   0.016270   0.000360  -0.000063  -0.000086
     4  C   -0.000069   0.022910   0.001656  -0.016163  -0.000002  -0.000002
     5  C    0.000001  -0.007828  -0.000617   0.017823   0.000005   0.000005
     6  C    0.000406  -0.021987  -0.000698   0.025869  -0.000112  -0.000121
     7  C    0.024089  -0.437958  -0.324637   0.044042   0.001685   0.002295
     8  H   -0.000072  -0.122263   0.001051   0.001362  -0.000003  -0.000004
     9  H   -0.000002   0.000333   0.000003  -0.002431  -0.000000  -0.000000
    10  H    0.000049   0.000491   0.000141  -0.022713  -0.000005  -0.000006
    11  C   -0.000001  -0.000582  -0.000015  -0.000315  -0.000000   0.000000
    12  C   -0.000000  -0.000146   0.000001   0.000032   0.000000  -0.000000
    13  C    0.000000   0.000128   0.000003   0.000083   0.000000   0.000000
    14  H   -0.000000   0.000905  -0.000002  -0.000006  -0.000000  -0.000000
    15  H    0.000000  -0.000004   0.000000   0.000000   0.000000   0.000000
    16  H   -0.000000  -0.000022  -0.000000   0.000004  -0.000000  -0.000000
    17  H    0.000000   0.000008   0.000000   0.000001   0.000000   0.000000
    18  O   -0.000000  -0.000005  -0.000000  -0.000004  -0.000000  -0.000000
    19  O   -0.000000  -0.000412   0.000003  -0.000021  -0.000000  -0.000000
    20  H   -0.000000   0.000198  -0.000002  -0.000014  -0.000000   0.000000
    21  C   -0.012164  -0.472579  -0.301050   0.094443   0.008377   0.006800
    22  C    0.096005   0.039466  -0.452858  -0.610105  -0.005949  -0.006764
    23  C    0.001506   0.044735   0.040504  -0.460743   0.000523   0.000982
    24  O    0.123373   0.015458  -0.223310   0.056643   0.077529   0.079263
    25  C    4.099178   0.002940  -0.043937  -0.013506   0.238726   0.238949
    26  H    0.002940   1.990142  -0.137023  -0.006233  -0.000391  -0.000367
    27  H   -0.043937  -0.137023   2.220238   0.013839  -0.024891  -0.025048
    28  H   -0.013506  -0.006233   0.013839   1.722159   0.000701   0.000765
    29  H    0.238726  -0.000391  -0.024891   0.000701   0.663989   0.016916
    30  H    0.238949  -0.000367  -0.025048   0.000765   0.016916   0.664502
    31  H    0.441375  -0.000226   0.061409  -0.000276  -0.166002  -0.166575
              31
     1  C   -0.001237
     2  C   -0.000093
     3  C    0.000026
     4  C    0.000000
     5  C   -0.000002
     6  C    0.000060
     7  C   -0.001973
     8  H    0.000000
     9  H    0.000000
    10  H    0.000002
    11  C   -0.000000
    12  C    0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O    0.000000
    20  H   -0.000000
    21  C    0.057936
    22  C    0.018423
    23  C    0.008054
    24  O   -0.177682
    25  C    0.441375
    26  H   -0.000226
    27  H    0.061409
    28  H   -0.000276
    29  H   -0.166002
    30  H   -0.166575
    31  H    1.469203
 Mulliken charges:
               1
     1  C   -0.533273
     2  C   -0.612489
     3  C   -0.194544
     4  C   -1.249168
     5  C   -0.147421
     6  C    0.063333
     7  C   -0.046036
     8  H    0.563030
     9  H    0.102275
    10  H    0.457756
    11  C   -0.441399
    12  C    0.945219
    13  C    0.823862
    14  H    0.246672
    15  H    0.086407
    16  H    0.033958
    17  H   -0.031130
    18  O   -0.513585
    19  O   -0.424303
    20  H    0.270883
    21  C    0.207813
    22  C    0.264039
    23  C   -0.257865
    24  O   -0.802652
    25  C    0.805031
    26  H    0.300735
    27  H    0.025854
    28  H    0.219215
    29  H    0.190352
    30  H    0.189853
    31  H   -0.542423
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.533273
     2  C   -0.612489
     3  C    0.368487
     4  C   -1.249168
     5  C   -0.045146
     6  C    0.521089
     7  C    0.254700
    11  C   -0.194726
    12  C    1.034454
    13  C    0.823862
    18  O   -0.513585
    19  O   -0.153420
    21  C    0.233667
    22  C    0.264039
    23  C   -0.038650
    24  O   -0.802652
    25  C    0.642813
 Electronic spatial extent (au):  <R**2>=           5622.2012
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.8861    Y=             -2.0501    Z=              1.8947  Tot=              6.5146
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -111.4801   YY=            -91.1552   ZZ=           -105.6922
   XY=              3.0755   XZ=             11.2920   YZ=             -0.6108
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.7043   YY=             11.6206   ZZ=             -2.9164
   XY=              3.0755   XZ=             11.2920   YZ=             -0.6108
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -272.5642  YYY=              1.5003  ZZZ=             -3.6884  XYY=              5.2543
  XXY=            -44.0251  XXZ=             45.9385  XZZ=             -6.7746  YZZ=             -1.7173
  YYZ=             -2.2541  XYZ=             -0.2180
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6416.7178 YYYY=           -592.5909 ZZZZ=           -487.4865 XXXY=             61.4808
 XXXZ=            246.9677 YYYX=             -7.1424 YYYZ=             -7.1594 ZZZX=             12.7023
 ZZZY=              1.9602 XXYY=          -1116.2697 XXZZ=          -1188.3378 YYZZ=           -196.8478
 XXYZ=              1.9772 YYXZ=             -5.5500 ZZXY=             -2.6990
 N-N= 1.131783818237D+03 E-N=-4.045795797246D+03  KE= 7.586745631462D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:38:30 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.30124803D+00-7.69776061D-01 6.94496309D-01
 Polarizability= 2.85439360D+02 1.18831820D+01 1.55814840D+02
                 1.11858391D+01-3.58322302D+00 1.12258383D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -5.8216   -5.8185        7.2778    7.2762
 2      5.8216    5.8185        1.9126    1.9126      -70.2403  -70.2243
 3     -7.2778   -7.2762       94.1318   94.1176       -1.9132   -1.9126
 4     -1.9126   -1.9126       -0.0000    0.0000       -7.2778   -7.2762
 5    -23.8916  -23.8933        7.2778    7.2762       -5.8220   -5.8185
 6      1.9132    1.9126        5.8220    5.8185        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       17.4554   17.4554       21.8287   21.8287
 2     -5.7377   -5.7377       -0.0000    0.0000       21.8287   21.8287
 3     -5.7377   -5.7377       17.4554   17.4554        0.0000    0.0000
 4     17.4554   17.4554        5.7377    5.7377     -210.6729 -210.6729
 5    -21.8287  -21.8287      282.3528  282.3528       -5.7377   -5.7377
 6    -71.6800  -71.6800       21.8287   21.8287      -17.4554  -17.4554
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.1648    0.0000       22.3174   23.2739      -28.9420  -29.1049
 2    -23.1409  -23.2739       -8.1471   -7.6503      280.1348  280.8972
 3     28.5303   29.1049     -375.6705 -376.4705        7.5285    7.6503
 4      7.5119    7.6503        0.1908    0.0000       29.2033   29.1049
 5     95.9854   95.5733      -29.0678  -29.1049       23.1148   23.2739
 6     -7.2987   -7.6503      -23.3605  -23.2739        0.1378    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0180    0.0000       15.3109   15.4633       19.4168   19.8959
 2    -16.2669  -15.4633       85.8139   84.5725      -35.9906  -36.1541
 3    -20.1648  -19.8959        2.3090    2.1737      -86.4369  -84.5725
 4    -84.6689  -84.5725       -0.2920    0.0000      -19.8534  -19.8959
 5     34.2517   33.9805       19.5684   19.8959       15.3452   15.4633
 6     84.3991   84.5725      -14.9714  -15.4633        0.4078    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -63.7472  -64.2590       -7.6189   -7.1623      -14.5507  -14.6753
 2   -205.3533 -205.5062        3.0083    3.7188      -14.8783  -14.6753
 3   -205.4156 -205.5062       -8.0572   -7.1623      -41.1126  -41.2140
 4    -10.4730  -10.8810      140.4820  141.2472      -35.8757  -36.1342
 5    -26.8727  -26.5386      -27.8603  -27.8199     -142.7742 -141.2472
 6     63.6052   63.9540       27.4292   26.5386       11.8310   10.8810
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4890   -1.7257   -0.0006    0.0008    0.0011    1.5985
 Low frequencies ---   27.6914   42.0774   50.3132
 Diagonal vibrational polarizability:
       50.8859867     104.3036288      49.6339502
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.6907                42.0773                50.3089
 Red. masses --      5.0562                 7.9050                 4.5123
 Frc consts  --      0.0023                 0.0082                 0.0067
 IR Inten    --      0.9793                 6.3711                 0.3352
 RamAct Fr= 1--      3.6346                 0.6738                 3.9857
  Dep-P Fr= 1--      0.7469                 0.6785                 0.7500
  Dep-U Fr= 1--      0.8551                 0.8085                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0009                 0.0000
 Beta2  Fr= 1--      0.5180                 0.0908                 0.5694
 AlphaG Fr= 1--      0.0035                 0.0125                 0.0001
 Gamma2 Fr= 1--      0.4104                -0.5857                 0.7384
 Delta2 Fr= 1--      0.1993                -0.1717                -0.0351
 Raman1 Fr= 1--      14.538                  2.695                 15.943
 ROA1   Fr= 1--      45.773                -61.723                 69.768
 CID1   Fr= 1--       3.148                -22.900                  4.376
 Raman2 Fr= 1--       6.216                  1.090                  6.833
 ROA2   Fr= 1--       8.254                -12.683                 18.003
 CID2   Fr= 1--       1.328                -11.640                  2.635
 Raman3 Fr= 1--      12.432                  2.179                 13.665
 ROA3   Fr= 1--      45.773                -61.723                 69.768
 CID3   Fr= 1--       3.682                -28.325                  5.105
 RC180  Fr= 1--       0.710                  0.617                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03     0.00  -0.02   0.05    -0.01  -0.00   0.15
     2   6    -0.00  -0.03  -0.11     0.03  -0.02   0.04     0.01  -0.01   0.04
     3   6    -0.03  -0.04  -0.04    -0.00  -0.04   0.05    -0.01  -0.02   0.14
     4   6    -0.01  -0.06  -0.10     0.01  -0.06   0.03     0.00  -0.03   0.03
     5   6     0.01  -0.06  -0.18     0.04  -0.05   0.03     0.02  -0.04  -0.04
     6   6     0.01  -0.05  -0.19     0.04  -0.03   0.03     0.02  -0.03  -0.03
     7   6    -0.04  -0.00   0.06    -0.01   0.00   0.05    -0.02   0.01   0.23
     8   1    -0.04  -0.04   0.01    -0.02  -0.04   0.06    -0.02  -0.01   0.18
     9   1     0.02  -0.08  -0.23     0.05  -0.07   0.02     0.03  -0.05  -0.10
    10   1     0.03  -0.05  -0.24     0.06  -0.03   0.03     0.03  -0.03  -0.10
    11   6    -0.02  -0.06  -0.04     0.02  -0.06  -0.01     0.01  -0.05  -0.05
    12   6    -0.13  -0.15   0.07     0.03  -0.12   0.01     0.04  -0.13  -0.02
    13   6     0.07   0.07   0.05    -0.06   0.07  -0.03    -0.03   0.05  -0.05
    14   1    -0.01  -0.06  -0.13     0.02  -0.07  -0.08     0.02  -0.05  -0.13
    15   1    -0.13  -0.12   0.12     0.04  -0.12  -0.03     0.05  -0.11  -0.09
    16   1    -0.19  -0.24  -0.00     0.05  -0.17   0.00     0.08  -0.23  -0.02
    17   1    -0.17  -0.14   0.16     0.03  -0.12   0.06     0.00  -0.13   0.07
    18   8     0.05   0.13   0.17    -0.21   0.50  -0.08    -0.00  -0.01  -0.05
    19   8     0.19   0.12  -0.02     0.02  -0.32   0.00    -0.08   0.23  -0.05
    20   1     0.18   0.06  -0.11     0.09  -0.58   0.03    -0.09   0.25  -0.04
    21   6    -0.04   0.01   0.09    -0.00   0.02   0.02    -0.01   0.01   0.16
    22   6    -0.02   0.01   0.02     0.02   0.02  -0.00     0.01   0.00   0.01
    23   6    -0.00  -0.01  -0.08     0.04   0.01   0.01     0.02  -0.01  -0.02
    24   8    -0.02   0.02   0.05     0.03   0.05  -0.04     0.02  -0.00  -0.10
    25   6    -0.04   0.05   0.19     0.02   0.06  -0.10     0.03  -0.01  -0.23
    26   1    -0.05  -0.00   0.11    -0.03  -0.00   0.06    -0.04   0.02   0.33
    27   1    -0.05   0.03   0.16    -0.02   0.04   0.02    -0.02   0.03   0.21
    28   1     0.01  -0.02  -0.13     0.06   0.01  -0.00     0.03  -0.02  -0.13
    29   1     0.02   0.13   0.24    -0.04   0.05  -0.11    -0.12   0.03  -0.22
    30   1    -0.11  -0.01   0.24     0.06   0.06  -0.10     0.16  -0.04  -0.19
    31   1    -0.03   0.06   0.21     0.04   0.07  -0.15     0.04  -0.02  -0.39
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5110               125.0859               140.0679
 Red. masses --      3.8431                 5.1217                 4.1363
 Frc consts  --      0.0126                 0.0472                 0.0478
 IR Inten    --      4.2755                 0.0288                 0.2876
 RamAct Fr= 1--      0.9981                 0.5576                 1.1858
  Dep-P Fr= 1--      0.7280                 0.6590                 0.5792
  Dep-U Fr= 1--      0.8426                 0.7944                 0.7336
 Alpha2 Fr= 1--      0.0004                 0.0009                 0.0038
 Beta2  Fr= 1--      0.1402                 0.0738                 0.1450
 AlphaG Fr= 1--     -0.0079                 0.0078                 0.0119
 Gamma2 Fr= 1--     -0.2524                -0.6940                 2.1245
 Delta2 Fr= 1--      0.1329                -0.1008                 0.9362
 Raman1 Fr= 1--       3.992                  2.230                  4.743
 ROA1   Fr= 1--     -19.982                -69.845                233.911
 CID1   Fr= 1--      -5.005                -31.317                 49.315
 Raman2 Fr= 1--       1.682                  0.886                  1.740
 ROA2   Fr= 1--      -7.122                -15.849                 43.499
 CID2   Fr= 1--      -4.234                -17.890                 25.003
 Raman3 Fr= 1--       3.364                  1.772                  3.479
 ROA3   Fr= 1--     -19.982                -69.845                233.911
 CID3   Fr= 1--      -5.940                -39.420                 67.227
 RC180  Fr= 1--       0.685                  0.589                  0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.02  -0.09  -0.08    -0.02  -0.10   0.06
     2   6     0.02  -0.02  -0.04     0.05  -0.09  -0.12    -0.01  -0.09   0.11
     3   6     0.01  -0.01   0.07     0.02  -0.09   0.03    -0.00  -0.11  -0.01
     4   6     0.01  -0.01   0.09     0.01  -0.08   0.08    -0.01  -0.10  -0.05
     5   6     0.01  -0.01   0.09     0.03  -0.10  -0.04    -0.02  -0.09   0.02
     6   6     0.02  -0.01   0.02     0.05  -0.10  -0.16    -0.02  -0.09   0.11
     7   6     0.01  -0.01  -0.01    -0.01  -0.06  -0.09    -0.06  -0.07   0.04
     8   1     0.00  -0.01   0.07     0.01  -0.09   0.08     0.01  -0.11  -0.04
     9   1     0.02  -0.01   0.12     0.04  -0.11  -0.06    -0.02  -0.09  -0.00
    10   1     0.03  -0.02  -0.00     0.06  -0.11  -0.24    -0.03  -0.08   0.16
    11   6     0.01  -0.02   0.04     0.03   0.00   0.10     0.03   0.03  -0.03
    12   6     0.07  -0.05   0.02     0.02   0.15   0.04    -0.06   0.24  -0.09
    13   6    -0.06   0.03  -0.00    -0.07   0.04   0.05     0.06   0.02  -0.03
    14   1     0.02  -0.02   0.01     0.12   0.01   0.16     0.15   0.04   0.06
    15   1     0.08  -0.04  -0.05     0.07   0.27  -0.00    -0.03   0.34  -0.00
    16   1     0.13  -0.09   0.04     0.11   0.13   0.08    -0.06   0.32  -0.07
    17   1     0.05  -0.05   0.06    -0.11   0.15  -0.02    -0.14   0.23  -0.23
    18   8    -0.06   0.02  -0.05    -0.07   0.04  -0.03     0.06   0.02   0.01
    19   8    -0.13   0.08   0.03    -0.18   0.12   0.09     0.10   0.03  -0.05
    20   1    -0.12   0.08   0.07    -0.16   0.10   0.16     0.09   0.02  -0.08
    21   6     0.02  -0.01  -0.08    -0.00  -0.02  -0.04    -0.05  -0.02   0.01
    22   6     0.03  -0.01  -0.13     0.03  -0.00   0.03    -0.01  -0.01  -0.00
    23   6     0.03  -0.02  -0.12     0.07  -0.05  -0.08     0.01  -0.05   0.10
    24   8     0.04  -0.01  -0.21     0.04   0.09   0.23     0.03   0.06  -0.14
    25   6    -0.01   0.04   0.26     0.01   0.12  -0.06    -0.06   0.18  -0.00
    26   1     0.00  -0.01   0.02    -0.04  -0.07  -0.11    -0.10  -0.08   0.02
    27   1     0.01  -0.01  -0.09    -0.03   0.01  -0.02    -0.08  -0.00  -0.04
    28   1     0.04  -0.02  -0.16     0.10  -0.04  -0.07     0.05  -0.04   0.12
    29   1     0.19   0.28   0.40    -0.06  -0.13  -0.21    -0.11   0.33   0.08
    30   1    -0.24  -0.16   0.41     0.03   0.34  -0.25    -0.16   0.05   0.10
    31   1    -0.01   0.06   0.32     0.04   0.19   0.05    -0.00   0.26  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.9601               207.1774               210.2077
 Red. masses --      3.0466                 1.6540                 1.5262
 Frc consts  --      0.0601                 0.0418                 0.0397
 IR Inten    --      1.1137                 1.1644                 0.7576
 RamAct Fr= 1--      0.2232                 3.5610                 3.3578
  Dep-P Fr= 1--      0.7443                 0.3432                 0.2101
  Dep-U Fr= 1--      0.8534                 0.5110                 0.3472
 Alpha2 Fr= 1--      0.0000                 0.0320                 0.0444
 Beta2  Fr= 1--      0.0318                 0.3033                 0.1943
 AlphaG Fr= 1--      0.0003                -0.0033                 0.0166
 Gamma2 Fr= 1--     -0.2550                -0.9962                -0.9882
 Delta2 Fr= 1--      0.0577                -0.6060                -0.2778
 Raman1 Fr= 1--       0.893                 14.244                 13.431
 ROA1   Fr= 1--     -22.635               -115.028               -103.760
 CID1   Fr= 1--     -25.349                 -8.076                 -7.725
 Raman2 Fr= 1--       0.381                  3.640                  2.332
 ROA2   Fr= 1--      -6.582                -19.061                -21.495
 CID2   Fr= 1--     -17.276                 -5.237                 -9.218
 Raman3 Fr= 1--       0.762                  7.279                  4.664
 ROA3   Fr= 1--     -22.635               -115.028               -103.760
 CID3   Fr= 1--     -29.704                -15.802                -22.248
 RC180  Fr= 1--       0.707                  0.022                 -0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.14    -0.01  -0.01   0.03     0.01   0.01  -0.01
     2   6     0.01  -0.02  -0.12    -0.02  -0.02  -0.02     0.02   0.01   0.02
     3   6     0.02  -0.02  -0.19    -0.00   0.01   0.07    -0.00  -0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.02   0.04    -0.00  -0.03  -0.03
     5   6    -0.02   0.02   0.19    -0.02   0.02   0.04     0.03  -0.02  -0.05
     6   6    -0.01   0.00   0.07    -0.03  -0.01   0.00     0.03   0.00  -0.01
     7   6    -0.01  -0.00   0.05    -0.02  -0.01   0.01     0.01   0.01  -0.01
     8   1     0.03  -0.03  -0.29     0.01   0.02   0.09    -0.01  -0.02  -0.04
     9   1    -0.04   0.05   0.41    -0.04   0.03   0.05     0.05  -0.04  -0.07
    10   1    -0.02   0.01   0.18    -0.04  -0.01  -0.01     0.05   0.00  -0.01
    11   6     0.00   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.04   0.01
    12   6     0.01   0.02  -0.00     0.12  -0.02  -0.05    -0.07   0.02   0.00
    13   6    -0.00   0.00   0.00     0.02   0.00  -0.01    -0.04  -0.01   0.01
    14   1     0.00   0.01   0.01    -0.02   0.00  -0.01    -0.03  -0.03   0.04
    15   1    -0.01  -0.05   0.04    -0.03  -0.42   0.13    -0.22  -0.34   0.34
    16   1    -0.02   0.09  -0.00    -0.09   0.37  -0.05    -0.39   0.45  -0.05
    17   1     0.10   0.01  -0.05     0.58  -0.04  -0.27     0.36  -0.00  -0.28
    18   8    -0.00   0.00   0.00     0.02   0.01   0.03    -0.05   0.01   0.02
    19   8    -0.00  -0.00   0.01     0.06   0.01  -0.03    -0.06   0.03   0.01
    20   1    -0.00   0.00   0.01     0.06  -0.00  -0.05    -0.05   0.02   0.02
    21   6    -0.02   0.02   0.21    -0.02  -0.02  -0.03     0.02   0.02   0.01
    22   6    -0.00  -0.00   0.02    -0.03  -0.02  -0.03     0.03   0.02   0.02
    23   6     0.01  -0.02  -0.14    -0.02  -0.03  -0.07     0.02   0.03   0.06
    24   8     0.00   0.01   0.01    -0.03   0.01   0.05     0.03  -0.01  -0.03
    25   6    -0.01   0.02  -0.02    -0.06   0.05  -0.01     0.06  -0.05   0.01
    26   1    -0.02   0.01   0.14    -0.02  -0.01   0.03     0.01   0.01  -0.03
    27   1    -0.04   0.04   0.44    -0.02  -0.03  -0.04     0.02   0.02   0.00
    28   1     0.02  -0.03  -0.21    -0.02  -0.03  -0.09     0.02   0.03   0.08
    29   1    -0.20   0.20   0.07     0.01  -0.12  -0.10     0.03   0.06   0.07
    30   1     0.15  -0.14   0.14    -0.17   0.19  -0.15     0.14  -0.14   0.10
    31   1     0.02  -0.00  -0.31    -0.05   0.11   0.19     0.05  -0.10  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    234.4759               243.9082               277.4463
 Red. masses --      2.1305                 2.0906                 2.7934
 Frc consts  --      0.0690                 0.0733                 0.1267
 IR Inten    --      2.4611                 3.9186                 1.6525
 RamAct Fr= 1--      1.4893                 1.0115                 3.3635
  Dep-P Fr= 1--      0.2766                 0.4138                 0.4058
  Dep-U Fr= 1--      0.4333                 0.5853                 0.5773
 Alpha2 Fr= 1--      0.0164                 0.0071                 0.0244
 Beta2  Fr= 1--      0.1076                 0.0987                 0.3236
 AlphaG Fr= 1--      0.0080                 0.0019                -0.0850
 Gamma2 Fr= 1--      0.9247                -0.1231                -0.5170
 Delta2 Fr= 1--      0.0516                -0.0940                -0.3340
 Raman1 Fr= 1--       5.957                  4.046                 13.454
 ROA1   Fr= 1--      90.419                -14.825                -60.319
 CID1   Fr= 1--      15.178                 -3.664                 -4.483
 Raman2 Fr= 1--       1.291                  1.184                  3.884
 ROA2   Fr= 1--      21.778                 -2.202                 -9.735
 CID2   Fr= 1--      16.875                 -1.860                 -2.507
 Raman3 Fr= 1--       2.581                  2.368                  7.767
 ROA3   Fr= 1--      90.419                -14.825                -60.319
 CID3   Fr= 1--      35.029                 -6.260                 -7.766
 RC180  Fr= 1--      -0.133                  0.171                  0.155
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.03   0.01  -0.02    -0.00   0.00   0.09
     2   6     0.01   0.02  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
     3   6    -0.04  -0.05   0.01    -0.03  -0.03   0.04    -0.01   0.02   0.15
     4   6    -0.01  -0.08   0.00     0.00  -0.06   0.05    -0.02   0.01   0.02
     5   6     0.02  -0.07   0.08     0.01  -0.06  -0.01    -0.01   0.02   0.07
     6   6     0.04  -0.01   0.06     0.02  -0.03  -0.03    -0.01   0.02   0.07
     7   6    -0.04   0.05   0.05    -0.05   0.03  -0.06     0.02  -0.02  -0.01
     8   1    -0.09  -0.06  -0.00    -0.08  -0.04   0.05    -0.00   0.02   0.20
     9   1     0.04  -0.09   0.13     0.02  -0.08  -0.03    -0.01   0.02   0.09
    10   1     0.09   0.00   0.10     0.07  -0.02  -0.07    -0.02   0.02   0.09
    11   6    -0.00  -0.05  -0.02     0.03  -0.04   0.03    -0.04   0.01  -0.06
    12   6    -0.05   0.07  -0.05     0.15   0.03  -0.06    -0.15   0.01  -0.01
    13   6    -0.00  -0.01  -0.02     0.02  -0.01   0.02    -0.01   0.00  -0.05
    14   1     0.05  -0.04   0.02     0.06  -0.03   0.06    -0.03   0.01  -0.07
    15   1    -0.02   0.19  -0.04     0.18   0.07  -0.20    -0.15   0.04   0.12
    16   1    -0.02   0.06  -0.03     0.29   0.05   0.02    -0.25  -0.01  -0.07
    17   1    -0.17   0.07  -0.11     0.11   0.03  -0.11    -0.18   0.01   0.00
    18   8    -0.01   0.01   0.02     0.01   0.02   0.04    -0.00  -0.02  -0.01
    19   8     0.03   0.02  -0.04     0.04   0.03   0.00     0.04  -0.01  -0.08
    20   1     0.03  -0.01  -0.07     0.05  -0.01  -0.02     0.03  -0.01  -0.13
    21   6    -0.02   0.07   0.01    -0.04   0.06  -0.04     0.03  -0.03  -0.11
    22   6     0.00   0.07  -0.05    -0.05   0.06   0.01     0.04  -0.02  -0.07
    23   6     0.02   0.06  -0.09    -0.03   0.05   0.02     0.04  -0.02  -0.15
    24   8    -0.03   0.01   0.01    -0.07   0.01   0.02     0.04   0.02   0.14
    25   6     0.08  -0.13   0.02    -0.00  -0.09   0.01     0.05   0.01   0.02
    26   1    -0.07   0.05   0.08    -0.08   0.02  -0.09     0.03  -0.01  -0.01
    27   1    -0.02   0.09   0.01    -0.04   0.06  -0.04     0.03  -0.02  -0.13
    28   1     0.05   0.06  -0.12    -0.00   0.06   0.04     0.03  -0.03  -0.18
    29   1     0.41  -0.44  -0.14    -0.21   0.21   0.18    -0.26   0.27   0.14
    30   1    -0.04   0.14  -0.24     0.29  -0.35   0.28     0.33  -0.20   0.24
    31   1    -0.03  -0.20   0.46    -0.02  -0.22  -0.44     0.09  -0.04  -0.45
                     13                     14                     15
                      A                      A                      A
 Frequencies --    307.9476               347.9204               397.1233
 Red. masses --      4.7716                 3.8274                 4.9523
 Frc consts  --      0.2666                 0.2730                 0.4602
 IR Inten    --      8.5124                 1.1363                 1.3002
 RamAct Fr= 1--      6.7072                 5.1160                 1.4278
  Dep-P Fr= 1--      0.2519                 0.2221                 0.6492
  Dep-U Fr= 1--      0.4024                 0.3635                 0.7873
 Alpha2 Fr= 1--      0.0791                 0.0655                 0.0026
 Beta2  Fr= 1--      0.4498                 0.3099                 0.1874
 AlphaG Fr= 1--      0.0976                -0.0292                -0.0294
 Gamma2 Fr= 1--      0.0700                -0.4776                 1.4900
 Delta2 Fr= 1--      0.2230                -0.0022                 0.6788
 Raman1 Fr= 1--      26.829                 20.464                  5.711
 ROA1   Fr= 1--      13.857                -45.921                164.759
 CID1   Fr= 1--       0.516                 -2.244                 28.848
 Raman2 Fr= 1--       5.398                  3.719                  2.248
 ROA2   Fr= 1--      -0.103                -11.445                 30.330
 CID2   Fr= 1--      -0.019                 -3.077                 13.490
 Raman3 Fr= 1--      10.795                  7.438                  4.496
 ROA3   Fr= 1--      13.857                -45.921                164.759
 CID3   Fr= 1--       1.284                 -6.174                 36.642
 RC180  Fr= 1--      -0.195                 -0.273                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.02    -0.04  -0.14  -0.01     0.01   0.02  -0.07
     2   6     0.02   0.01  -0.00    -0.02  -0.14  -0.00     0.02   0.01  -0.12
     3   6    -0.03   0.03  -0.02     0.00  -0.02   0.01    -0.02  -0.00   0.11
     4   6    -0.07   0.05   0.01    -0.06   0.08   0.02    -0.02  -0.01   0.24
     5   6    -0.02   0.06  -0.01    -0.12   0.06  -0.01     0.00  -0.01   0.22
     6   6    -0.01   0.05  -0.02    -0.13  -0.06  -0.04     0.05  -0.02  -0.23
     7   6     0.06  -0.04   0.00    -0.10  -0.08  -0.01     0.03   0.01  -0.08
     8   1     0.00   0.04  -0.02     0.12   0.00   0.00    -0.04  -0.02   0.06
     9   1    -0.00   0.04  -0.00    -0.16   0.10  -0.00     0.01  -0.02   0.34
    10   1    -0.05   0.04  -0.04    -0.26  -0.09  -0.08     0.11  -0.03  -0.44
    11   6    -0.15  -0.06  -0.02    -0.04   0.14  -0.01    -0.01   0.02   0.01
    12   6     0.07   0.02  -0.20     0.05  -0.04   0.04    -0.08   0.02   0.06
    13   6    -0.15  -0.08   0.03    -0.00   0.07  -0.01    -0.03   0.02  -0.08
    14   1    -0.22  -0.06   0.05    -0.05   0.13  -0.07     0.04   0.02  -0.02
    15   1     0.14   0.18  -0.50     0.01  -0.18  -0.04    -0.09   0.03   0.21
    16   1     0.37  -0.02  -0.03     0.05  -0.09   0.02    -0.21   0.01  -0.02
    17   1    -0.08   0.02  -0.25     0.18  -0.03   0.17    -0.10   0.02   0.08
    18   8    -0.18  -0.02   0.28     0.03  -0.03  -0.02    -0.02  -0.03  -0.05
    19   8     0.03   0.03  -0.09     0.02  -0.04  -0.00     0.10  -0.01  -0.17
    20   1     0.01  -0.04  -0.25     0.00   0.05  -0.01     0.07   0.02  -0.32
    21   6     0.05  -0.07   0.03    -0.07   0.05   0.00     0.01   0.00   0.06
    22   6     0.08  -0.06   0.03     0.02   0.08   0.02    -0.01   0.01   0.14
    23   6     0.04  -0.03   0.03     0.05  -0.01   0.04    -0.01   0.03   0.17
    24   8     0.12  -0.01  -0.01     0.06   0.14  -0.03     0.00  -0.04  -0.09
    25   6     0.09   0.06  -0.00     0.24  -0.05   0.02    -0.04   0.00  -0.02
    26   1     0.12  -0.02   0.00    -0.21  -0.11  -0.03     0.05   0.01  -0.13
    27   1     0.05  -0.06   0.04    -0.11   0.10  -0.01     0.02  -0.01   0.02
    28   1    -0.02  -0.04   0.04     0.15   0.02   0.06    -0.04   0.03   0.23
    29   1     0.09   0.04  -0.01     0.41  -0.05   0.03     0.01  -0.01  -0.02
    30   1     0.03   0.07  -0.02     0.37  -0.04   0.03    -0.13   0.02  -0.04
    31   1     0.11   0.11   0.04     0.10  -0.25   0.06    -0.02   0.05   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.6870               454.3575               486.0512
 Red. masses --      3.3696                 5.4598                 2.5766
 Frc consts  --      0.3464                 0.6641                 0.3586
 IR Inten    --      0.0777                 1.7628                14.2128
 RamAct Fr= 1--      1.7378                 0.6775                 0.0592
  Dep-P Fr= 1--      0.7282                 0.7208                 0.1381
  Dep-U Fr= 1--      0.8427                 0.8377                 0.2426
 Alpha2 Fr= 1--      0.0006                 0.0003                 0.0009
 Beta2  Fr= 1--      0.2441                 0.0946                 0.0024
 AlphaG Fr= 1--      0.0011                 0.0030                -0.0070
 Gamma2 Fr= 1--      0.1836                 0.4140                -0.1033
 Delta2 Fr= 1--     -0.0179                 0.2240                -0.0627
 Raman1 Fr= 1--       6.951                  2.710                  0.237
 ROA1   Fr= 1--      17.056                 46.915                -11.926
 CID1   Fr= 1--       2.454                 17.311                -50.403
 Raman2 Fr= 1--       2.929                  1.135                  0.029
 ROA2   Fr= 1--       4.550                  8.145                 -1.978
 CID2   Fr= 1--       1.553                  7.175                -68.911
 Raman3 Fr= 1--       5.858                  2.270                  0.057
 ROA3   Fr= 1--      17.056                 46.915                -11.926
 CID3   Fr= 1--       2.911                 20.664               -207.744
 RC180  Fr= 1--       0.685                  0.675                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.09     0.15  -0.15   0.03    -0.01   0.02   0.21
     2   6     0.00  -0.00  -0.03     0.10  -0.17   0.04    -0.01   0.02   0.19
     3   6     0.01  -0.02  -0.18     0.21  -0.01  -0.00     0.01  -0.02  -0.12
     4   6     0.00  -0.00  -0.01     0.10   0.12  -0.01    -0.01  -0.00   0.03
     5   6    -0.01   0.01   0.12     0.09   0.10  -0.03    -0.00  -0.00   0.06
     6   6     0.01  -0.02  -0.15     0.03  -0.08   0.03     0.01  -0.01  -0.10
     7   6    -0.02   0.03   0.25     0.01  -0.00   0.02     0.01  -0.01  -0.10
     8   1     0.03  -0.04  -0.40     0.40   0.04   0.02     0.03  -0.06  -0.45
     9   1    -0.02   0.03   0.25     0.03   0.17  -0.05     0.01  -0.02  -0.03
    10   1     0.02  -0.03  -0.29    -0.12  -0.11   0.03     0.04  -0.05  -0.42
    11   6     0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.02  -0.01
    12   6     0.00   0.00  -0.01    -0.03   0.00   0.02    -0.00  -0.00  -0.01
    13   6     0.00   0.00   0.01    -0.10  -0.03  -0.02    -0.01   0.03   0.00
    14   1    -0.00  -0.00  -0.00    -0.08   0.04   0.01     0.02   0.02  -0.03
    15   1     0.01   0.00  -0.03    -0.03   0.02   0.06    -0.00  -0.01  -0.02
    16   1     0.02   0.00  -0.00    -0.08  -0.07  -0.03    -0.00  -0.00  -0.01
    17   1     0.01   0.00  -0.02    -0.06   0.01   0.08     0.01   0.00   0.00
    18   8     0.00   0.00   0.01    -0.11  -0.03   0.12     0.00  -0.01   0.01
    19   8    -0.01  -0.01   0.02    -0.02  -0.01  -0.10    -0.00  -0.02   0.01
    20   1    -0.02   0.03   0.04    -0.04  -0.02  -0.18    -0.03   0.11   0.01
    21   6     0.02  -0.02  -0.21     0.04   0.17  -0.02     0.00   0.01   0.05
    22   6     0.01  -0.01  -0.11    -0.07   0.14  -0.04    -0.00   0.01   0.07
    23   6    -0.01   0.01   0.09     0.10  -0.00   0.00     0.01  -0.01  -0.12
    24   8    -0.00   0.01   0.06    -0.18   0.00  -0.01     0.00  -0.01  -0.01
    25   6     0.00   0.00   0.01    -0.19  -0.08  -0.01    -0.01  -0.00  -0.00
    26   1    -0.04   0.05   0.49    -0.20  -0.05   0.02     0.04  -0.05  -0.45
    27   1     0.03  -0.04  -0.33     0.03   0.18  -0.01     0.01  -0.01  -0.12
    28   1    -0.03   0.03   0.31     0.35   0.06   0.02     0.05  -0.05  -0.48
    29   1    -0.07   0.04   0.03    -0.18  -0.07  -0.00    -0.01   0.01   0.00
    30   1     0.06  -0.03   0.05    -0.17  -0.07  -0.01    -0.02  -0.01   0.00
    31   1     0.01  -0.01  -0.09    -0.20  -0.09  -0.01    -0.00   0.01  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    494.3120               512.3411               538.5383
 Red. masses --      3.8581                 3.9004                 5.5708
 Frc consts  --      0.5554                 0.6032                 0.9519
 IR Inten    --      4.5427                22.6816                 3.4739
 RamAct Fr= 1--      1.6719                 3.4810                18.9267
  Dep-P Fr= 1--      0.6277                 0.2390                 0.3725
  Dep-U Fr= 1--      0.7713                 0.3858                 0.5428
 Alpha2 Fr= 1--      0.0037                 0.0425                 0.1542
 Beta2  Fr= 1--      0.2149                 0.2238                 1.7123
 AlphaG Fr= 1--      0.0393                -0.1699                 0.1172
 Gamma2 Fr= 1--     -1.9387                 0.9064                 1.9951
 Delta2 Fr= 1--     -0.4173                -0.2561                 0.3727
 Raman1 Fr= 1--       6.687                 13.924                 75.707
 ROA1   Fr= 1--    -199.467                 78.820                203.459
 CID1   Fr= 1--     -29.827                  5.661                  2.687
 Raman2 Fr= 1--       2.579                  2.686                 20.548
 ROA2   Fr= 1--     -43.190                 23.802                 44.902
 CID2   Fr= 1--     -16.747                  8.861                  2.185
 Raman3 Fr= 1--       5.158                  5.372                 41.096
 ROA3   Fr= 1--    -199.467                 78.820                203.459
 CID3   Fr= 1--     -38.672                 14.672                  4.951
 RC180  Fr= 1--       0.543                 -0.228                  0.086
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.03  -0.04     0.03  -0.01  -0.01    -0.11  -0.02  -0.01
     2   6     0.00   0.06   0.06     0.03  -0.00  -0.07     0.15   0.03  -0.00
     3   6    -0.04  -0.10  -0.07    -0.02  -0.09   0.08    -0.07   0.08  -0.00
     4   6    -0.06  -0.09   0.02    -0.06  -0.06  -0.04     0.00   0.05  -0.01
     5   6    -0.01  -0.12  -0.10    -0.05  -0.06   0.05     0.27   0.10   0.01
     6   6     0.02   0.02   0.08    -0.00  -0.00  -0.02     0.26   0.08   0.02
     7   6     0.02   0.03   0.04     0.05   0.01  -0.01    -0.22  -0.03  -0.01
     8   1    -0.12  -0.12  -0.09    -0.04  -0.08   0.14     0.02   0.09   0.01
     9   1     0.07  -0.21  -0.20    -0.01  -0.10   0.16     0.36   0.01   0.04
    10   1     0.11   0.04   0.11     0.02   0.01   0.05     0.24   0.08   0.03
    11   6    -0.02   0.19   0.07    -0.05   0.13  -0.15    -0.02   0.08  -0.05
    12   6     0.10   0.04   0.18    -0.05  -0.04  -0.17    -0.01   0.01  -0.03
    13   6    -0.13   0.12  -0.04    -0.00   0.19   0.01    -0.03   0.10  -0.01
    14   1     0.15   0.19   0.03     0.09   0.11  -0.35     0.05   0.08  -0.13
    15   1     0.04  -0.17   0.08    -0.07  -0.14  -0.25    -0.02  -0.05  -0.06
    16   1     0.09  -0.08   0.14    -0.03  -0.07  -0.17    -0.01  -0.03  -0.04
    17   1     0.28   0.05   0.41     0.06  -0.04  -0.08     0.05   0.01   0.05
    18   8    -0.07  -0.07   0.02     0.08  -0.02   0.09     0.01  -0.02   0.04
    19   8     0.06  -0.06  -0.14    -0.07  -0.11   0.14    -0.01  -0.06   0.02
    20   1    -0.05   0.27  -0.32    -0.17   0.46   0.29    -0.12   0.40   0.03
    21   6     0.04   0.00  -0.01     0.08   0.07   0.00    -0.26  -0.13  -0.01
    22   6     0.04  -0.01  -0.08     0.05   0.05   0.04    -0.04  -0.09   0.01
    23   6     0.01   0.04  -0.03     0.04   0.07   0.03     0.07  -0.14   0.03
    24   8     0.03  -0.05   0.04     0.01  -0.08  -0.01    -0.02   0.01  -0.00
    25   6    -0.02   0.01   0.00    -0.07  -0.01  -0.01     0.00  -0.04   0.00
    26   1     0.05   0.05   0.15     0.02   0.00  -0.02    -0.18  -0.03  -0.00
    27   1     0.02   0.02   0.08     0.05   0.10  -0.04    -0.28  -0.11  -0.01
    28   1    -0.03   0.04   0.02     0.09   0.09   0.06    -0.03  -0.16   0.03
    29   1    -0.10   0.00  -0.00    -0.14  -0.01  -0.01     0.04  -0.04   0.01
    30   1    -0.06   0.01  -0.00    -0.16  -0.01  -0.02     0.04  -0.03   0.01
    31   1     0.03   0.08  -0.02     0.00   0.11  -0.01    -0.03  -0.08   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    567.6145               584.9456               599.7614
 Red. masses --      2.8765                 1.4879                 2.7139
 Frc consts  --      0.5460                 0.3000                 0.5752
 IR Inten    --     11.2289                59.7496                 2.3228
 RamAct Fr= 1--      4.3329                 2.5652                 3.3003
  Dep-P Fr= 1--      0.3969                 0.3493                 0.5345
  Dep-U Fr= 1--      0.5683                 0.5177                 0.6966
 Alpha2 Fr= 1--      0.0324                 0.0226                 0.0137
 Beta2  Fr= 1--      0.4104                 0.2214                 0.3832
 AlphaG Fr= 1--     -0.1255                 0.1704                -0.0625
 Gamma2 Fr= 1--     -1.6067                 0.2930                -0.5271
 Delta2 Fr= 1--     -0.2812                -0.2211                -0.2980
 Raman1 Fr= 1--      17.332                 10.261                 13.201
 ROA1   Fr= 1--    -163.244                 21.055                -60.136
 CID1   Fr= 1--      -9.419                  2.052                 -4.555
 Raman2 Fr= 1--       4.925                  2.656                  4.598
 ROA2   Fr= 1--     -36.312                  8.801                -10.266
 CID2   Fr= 1--      -7.373                  3.313                 -2.233
 Raman3 Fr= 1--       9.849                  5.312                  9.196
 ROA3   Fr= 1--    -163.244                 21.055                -60.136
 CID3   Fr= 1--     -16.574                  3.963                 -6.539
 RC180  Fr= 1--       0.137                  0.035                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00    -0.03  -0.02  -0.02    -0.03   0.01   0.09
     2   6    -0.04   0.01  -0.02    -0.02  -0.02   0.02     0.00  -0.01  -0.15
     3   6     0.08  -0.01   0.02    -0.02   0.04  -0.00    -0.01   0.01   0.00
     4   6     0.08  -0.04   0.00     0.01   0.03   0.03     0.02  -0.02  -0.19
     5   6    -0.02  -0.05   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.01
     6   6    -0.02  -0.01   0.00    -0.02  -0.02   0.01    -0.00  -0.01  -0.00
     7   6     0.09   0.09  -0.00    -0.02  -0.05  -0.00    -0.02  -0.01   0.05
     8   1     0.02  -0.02   0.01     0.01   0.05  -0.04    -0.03   0.03   0.18
     9   1    -0.05  -0.02   0.02    -0.03   0.06  -0.06    -0.04   0.05   0.39
    10   1     0.04   0.01   0.03    -0.06  -0.04  -0.02    -0.03   0.03   0.36
    11   6     0.07  -0.02  -0.03     0.00  -0.08   0.04     0.02   0.01   0.03
    12   6    -0.00  -0.00  -0.01    -0.00  -0.00   0.01     0.05   0.03   0.08
    13   6    -0.02   0.02  -0.02     0.02  -0.05   0.01    -0.01  -0.05   0.00
    14   1     0.11  -0.02  -0.08    -0.06  -0.08   0.05     0.01   0.02   0.12
    15   1     0.00   0.04   0.09     0.02   0.07   0.03     0.04  -0.01   0.04
    16   1    -0.08  -0.02  -0.06     0.02   0.06   0.04     0.07  -0.02   0.08
    17   1    -0.05   0.00  -0.01    -0.06  -0.01  -0.10     0.09   0.03   0.14
    18   8    -0.02   0.00   0.07    -0.01   0.04  -0.04    -0.04   0.01   0.01
    19   8    -0.03  -0.07  -0.02     0.04  -0.04  -0.00    -0.00   0.00  -0.03
    20   1    -0.20   0.68  -0.03    -0.19   0.91  -0.09    -0.05   0.18  -0.08
    21   6     0.01  -0.07   0.01     0.01   0.03   0.00    -0.00  -0.00  -0.06
    22   6    -0.12  -0.06   0.00     0.04   0.02  -0.03    -0.00   0.03   0.23
    23   6    -0.09  -0.11   0.01     0.01   0.05  -0.00    -0.00   0.02  -0.02
    24   8    -0.08   0.17  -0.03     0.03  -0.05   0.01     0.02  -0.03  -0.04
    25   6     0.07   0.02   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.01
    26   1     0.15   0.10   0.00    -0.05  -0.05   0.04     0.00  -0.04  -0.24
    27   1     0.16  -0.22   0.03    -0.05   0.09   0.06     0.02  -0.03  -0.54
    28   1    -0.15  -0.12   0.01     0.03   0.06   0.03     0.01  -0.01  -0.26
    29   1     0.23   0.02   0.01    -0.06  -0.00  -0.00    -0.00   0.02   0.00
    30   1     0.23   0.02   0.02    -0.06   0.00  -0.01    -0.04  -0.02   0.00
    31   1    -0.08  -0.20   0.02     0.03   0.07  -0.00     0.02   0.03  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    637.1476               684.8831               697.1971
 Red. masses --      5.1669                 4.3300                 4.3846
 Frc consts  --      1.2358                 1.1967                 1.2557
 IR Inten    --      0.5487                 6.6427                 5.4172
 RamAct Fr= 1--      1.1890                 1.8931                 0.3225
  Dep-P Fr= 1--      0.7491                 0.1553                 0.1114
  Dep-U Fr= 1--      0.8566                 0.2688                 0.2004
 Alpha2 Fr= 1--      0.0000                 0.0289                 0.0055
 Beta2  Fr= 1--      0.1697                 0.0848                 0.0108
 AlphaG Fr= 1--     -0.0012                 0.0607                -0.0493
 Gamma2 Fr= 1--      1.2783                -0.4139                 0.1297
 Delta2 Fr= 1--      0.0658                -0.2543                 0.0064
 Raman1 Fr= 1--       4.756                  7.573                  1.290
 ROA1   Fr= 1--     124.825                -47.871                 12.659
 CID1   Fr= 1--      26.247                 -6.322                  9.812
 Raman2 Fr= 1--       2.037                  1.018                  0.129
 ROA2   Fr= 1--      30.154                 -7.899                  3.062
 CID2   Fr= 1--      14.805                 -7.762                 23.683
 Raman3 Fr= 1--       4.074                  2.035                  0.259
 ROA3   Fr= 1--     124.825                -47.871                 12.659
 CID3   Fr= 1--      30.643                -23.520                 48.953
 RC180  Fr= 1--       0.713                 -0.462                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01  -0.02    -0.02  -0.01  -0.10     0.05  -0.01  -0.10
     2   6    -0.15  -0.00   0.00    -0.05  -0.02  -0.04     0.05   0.01  -0.01
     3   6    -0.02   0.18  -0.01    -0.03   0.10  -0.08     0.06  -0.10  -0.03
     4   6     0.16   0.02   0.01     0.00   0.05   0.21    -0.00  -0.00   0.21
     5   6     0.07  -0.04   0.03     0.10  -0.03  -0.08    -0.11   0.03  -0.07
     6   6    -0.00  -0.20   0.01     0.05  -0.13   0.13    -0.09   0.16   0.06
     7   6    -0.05  -0.11  -0.01     0.06  -0.09   0.14    -0.11   0.15   0.07
     8   1    -0.06   0.17  -0.03    -0.02   0.09  -0.19     0.07  -0.12  -0.17
     9   1    -0.08   0.12  -0.05     0.08  -0.01  -0.40    -0.07  -0.03  -0.42
    10   1     0.05  -0.20  -0.05     0.07  -0.13   0.08    -0.12   0.14  -0.07
    11   6     0.20   0.03  -0.11    -0.07  -0.01   0.02     0.11  -0.05  -0.03
    12   6     0.03   0.02   0.03    -0.05  -0.03  -0.07     0.01  -0.01  -0.00
    13   6     0.00   0.03  -0.11    -0.06   0.14   0.04     0.07  -0.05  -0.08
    14   1     0.27   0.02  -0.15    -0.02  -0.03  -0.14     0.09  -0.05  -0.04
    15   1     0.04   0.10   0.32    -0.04  -0.00  -0.11     0.03   0.12   0.23
    16   1    -0.22  -0.10  -0.16     0.00   0.07  -0.01    -0.15  -0.01  -0.10
    17   1    -0.09   0.03   0.13    -0.07  -0.04  -0.19    -0.14  -0.01  -0.04
    18   8     0.01  -0.01   0.20    -0.00  -0.05  -0.07     0.05   0.03   0.09
    19   8    -0.15  -0.04  -0.08     0.08  -0.00   0.05    -0.09  -0.02  -0.06
    20   1    -0.06  -0.28   0.16     0.08  -0.10  -0.07    -0.06   0.02   0.15
    21   6    -0.01  -0.01   0.02     0.09  -0.04  -0.09    -0.11   0.04  -0.09
    22   6     0.05   0.01  -0.04    -0.03   0.03   0.20     0.01  -0.00   0.16
    23   6    -0.11   0.16  -0.02    -0.05   0.05  -0.07     0.07  -0.07  -0.04
    24   8     0.07  -0.07   0.02    -0.04   0.06  -0.04     0.07  -0.10  -0.00
    25   6     0.05   0.03   0.00    -0.00   0.01  -0.00     0.01  -0.00  -0.00
    26   1    -0.05  -0.11   0.03     0.10  -0.08   0.11    -0.16   0.14   0.09
    27   1    -0.11   0.10   0.09     0.12  -0.08  -0.43    -0.10   0.02  -0.32
    28   1    -0.17   0.15   0.04    -0.03   0.02  -0.33     0.09  -0.09  -0.23
    29   1    -0.02   0.02  -0.00     0.07   0.02   0.01    -0.07   0.01  -0.00
    30   1    -0.02   0.03  -0.01     0.04  -0.01   0.01    -0.09  -0.01  -0.01
    31   1     0.10   0.11  -0.00    -0.05  -0.07  -0.01     0.10   0.12  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    747.9426               778.9933               790.5484
 Red. masses --      5.9249                 2.7797                 3.5418
 Frc consts  --      1.9528                 0.9938                 1.3042
 IR Inten    --      9.0611                 1.8277                 1.2680
 RamAct Fr= 1--     36.7034                 5.4280                23.7567
  Dep-P Fr= 1--      0.0771                 0.1020                 0.0945
  Dep-U Fr= 1--      0.1431                 0.1851                 0.1726
 Alpha2 Fr= 1--      0.6795                 0.0946                 0.4216
 Beta2  Fr= 1--      0.8754                 0.1674                 0.6835
 AlphaG Fr= 1--     -0.3423                -0.0617                 0.3849
 Gamma2 Fr= 1--     -1.8092                 0.9997                 1.9404
 Delta2 Fr= 1--      0.3547                 0.8519                -0.1485
 Raman1 Fr= 1--     146.814                 21.712                 95.027
 ROA1   Fr= 1--    -162.338                123.231                181.522
 CID1   Fr= 1--      -1.106                  5.676                  1.910
 Raman2 Fr= 1--      10.504                  2.009                  8.201
 ROA2   Fr= 1--     -46.259                 17.177                 47.756
 CID2   Fr= 1--      -4.404                  8.549                  5.823
 Raman3 Fr= 1--      21.008                  4.019                 16.403
 ROA3   Fr= 1--    -162.338                123.231                181.522
 CID3   Fr= 1--      -7.727                 30.664                 11.066
 RC180  Fr= 1--      -0.714                 -0.630                 -0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.09   0.05     0.02   0.01  -0.19     0.01  -0.08  -0.07
     2   6    -0.04  -0.07  -0.02    -0.02  -0.01   0.20    -0.02   0.09   0.10
     3   6     0.11   0.08  -0.01    -0.02   0.03   0.05     0.08  -0.07   0.03
     4   6     0.13   0.01  -0.03     0.00   0.00  -0.11     0.06  -0.04  -0.08
     5   6    -0.01  -0.04  -0.01     0.01  -0.02   0.10    -0.04   0.06   0.03
     6   6    -0.05  -0.18  -0.00     0.02  -0.09  -0.04    -0.03   0.19  -0.08
     7   6    -0.10   0.31  -0.06    -0.00   0.08   0.02    -0.02  -0.15   0.02
     8   1     0.09   0.08   0.03    -0.05   0.06   0.32     0.11  -0.04   0.25
     9   1    -0.18   0.14   0.12    -0.00  -0.01   0.01    -0.02   0.05   0.17
    10   1    -0.07  -0.17   0.14     0.05  -0.13  -0.31     0.00   0.20  -0.05
    11   6     0.02  -0.04   0.02    -0.04   0.07  -0.01     0.12  -0.12  -0.00
    12   6    -0.02  -0.03  -0.05    -0.01   0.01  -0.01     0.04  -0.02   0.01
    13   6    -0.16   0.17   0.11     0.03  -0.08   0.00    -0.11   0.16   0.05
    14   1     0.09  -0.06  -0.20    -0.09   0.08   0.11     0.23  -0.14  -0.26
    15   1     0.00   0.06  -0.02    -0.05  -0.12  -0.12     0.10   0.21   0.23
    16   1    -0.02   0.08  -0.01     0.03  -0.08  -0.01    -0.06   0.12   0.00
    17   1    -0.09  -0.04  -0.21     0.11   0.02   0.15    -0.17  -0.03  -0.23
    18   8    -0.10  -0.09  -0.09    -0.01   0.02  -0.00    -0.06  -0.07  -0.02
    19   8     0.13   0.01   0.10    -0.00   0.01   0.01     0.06  -0.01   0.04
    20   1     0.09  -0.09  -0.27    -0.02   0.07   0.01     0.04  -0.10  -0.16
    21   6    -0.15   0.08   0.01     0.00   0.00  -0.11    -0.02  -0.04  -0.05
    22   6    -0.01  -0.04  -0.03    -0.02   0.00   0.10     0.01   0.01   0.03
    23   6    -0.02  -0.09   0.02     0.00  -0.03  -0.01    -0.04   0.09  -0.01
    24   8     0.12  -0.15   0.03     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    25   6     0.08   0.03   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.15   0.30  -0.14    -0.02   0.13   0.44    -0.10  -0.15   0.23
    27   1    -0.07   0.01   0.01     0.01   0.00   0.22    -0.12   0.07   0.15
    28   1    -0.03  -0.09   0.09     0.06  -0.08  -0.50    -0.09   0.04  -0.32
    29   1    -0.07   0.03  -0.00     0.00   0.01  -0.00     0.02  -0.00   0.00
    30   1    -0.06   0.03  -0.01    -0.01   0.00  -0.00     0.01  -0.00   0.00
    31   1     0.20   0.22  -0.01     0.02   0.03   0.01    -0.02  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    811.4904               819.7663               833.3944
 Red. masses --      3.1406                 1.5203                 1.6920
 Frc consts  --      1.2185                 0.6020                 0.6924
 IR Inten    --      7.5452                20.1261                 1.4816
 RamAct Fr= 1--      5.7841                 0.5699                 1.0617
  Dep-P Fr= 1--      0.3609                 0.4185                 0.1855
  Dep-U Fr= 1--      0.5304                 0.5901                 0.3129
 Alpha2 Fr= 1--      0.0490                 0.0039                 0.0150
 Beta2  Fr= 1--      0.5113                 0.0560                 0.0554
 AlphaG Fr= 1--     -0.1115                 0.0039                -0.0081
 Gamma2 Fr= 1--     -0.1996                -0.5711                -0.2555
 Delta2 Fr= 1--     -0.0209                 0.0117                -0.2222
 Raman1 Fr= 1--      23.136                  2.280                  4.247
 ROA1   Fr= 1--     -19.834                -54.450                -31.637
 CID1   Fr= 1--      -0.857                -23.886                 -7.449
 Raman2 Fr= 1--       6.136                  0.673                  0.664
 ROA2   Fr= 1--      -4.624                -13.800                 -4.354
 CID2   Fr= 1--      -0.754                -20.519                 -6.552
 Raman3 Fr= 1--      12.271                  1.345                  1.329
 ROA3   Fr= 1--     -19.834                -54.450                -31.637
 CID3   Fr= 1--      -1.616                -40.481                -23.807
 RC180  Fr= 1--       0.061                  0.180                 -0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.03    -0.01   0.01   0.11     0.02  -0.02  -0.03
     2   6     0.05  -0.07   0.07     0.01  -0.01  -0.05    -0.03   0.03   0.06
     3   6    -0.13   0.09  -0.04    -0.01   0.01   0.01     0.05  -0.03  -0.01
     4   6    -0.05  -0.01  -0.02    -0.00   0.00   0.03     0.00   0.02   0.11
     5   6    -0.02   0.03  -0.03     0.00  -0.01  -0.05     0.02  -0.02  -0.09
     6   6    -0.03  -0.05  -0.06    -0.00  -0.00   0.00     0.02  -0.01  -0.10
     7   6     0.04   0.05   0.00     0.01  -0.01  -0.10    -0.01  -0.00   0.02
     8   1    -0.24   0.09   0.15     0.02  -0.04  -0.37     0.09  -0.02   0.05
     9   1    -0.08   0.10   0.30    -0.01   0.01   0.12    -0.02   0.04   0.54
    10   1    -0.19  -0.05   0.25    -0.02   0.02   0.22     0.00   0.08   0.64
    11   6    -0.03  -0.14   0.07     0.00   0.00  -0.00    -0.03   0.04   0.01
    12   6     0.03  -0.01   0.09     0.00   0.00   0.00    -0.03  -0.01  -0.04
    13   6     0.01   0.18  -0.07     0.00  -0.01   0.00     0.03  -0.04  -0.01
    14   1     0.03  -0.16  -0.17    -0.00   0.00   0.01    -0.06   0.04   0.08
    15   1     0.10   0.18   0.07    -0.00  -0.00   0.00    -0.05  -0.06  -0.07
    16   1     0.16   0.26   0.25    -0.00  -0.01  -0.01    -0.03  -0.05  -0.05
    17   1    -0.09  -0.02  -0.27     0.00   0.00   0.01     0.02  -0.01   0.04
    18   8     0.09  -0.01   0.04    -0.00   0.00  -0.00     0.01   0.02   0.00
    19   8    -0.06  -0.05  -0.08    -0.00   0.00   0.00    -0.01   0.00  -0.01
    20   1    -0.02  -0.10   0.11     0.00  -0.01  -0.00    -0.00   0.01   0.03
    21   6     0.05   0.02  -0.01     0.01  -0.01  -0.10    -0.02  -0.00   0.02
    22   6     0.02   0.01  -0.02    -0.01   0.01   0.08    -0.01  -0.01  -0.06
    23   6     0.11  -0.10   0.04     0.00  -0.00   0.01    -0.05   0.04   0.05
    24   8    -0.02   0.03   0.00     0.00  -0.00  -0.02     0.01  -0.01   0.02
    25   6    -0.04  -0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    26   1     0.11   0.07   0.00    -0.04   0.06   0.54    -0.03  -0.02  -0.11
    27   1     0.09  -0.01   0.04    -0.05   0.07   0.66    -0.01  -0.01  -0.08
    28   1     0.28  -0.09  -0.19     0.02  -0.01  -0.10    -0.06  -0.02  -0.41
    29   1    -0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
    30   1    -0.02  -0.02   0.00    -0.01   0.00  -0.01     0.01   0.01   0.00
    31   1    -0.05  -0.04   0.00    -0.00   0.00   0.03     0.03   0.02  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    859.0113               898.4820               910.5673
 Red. masses --      3.0679                 1.6982                 1.5083
 Frc consts  --      1.3338                 0.8077                 0.7368
 IR Inten    --     11.1390                31.7275                11.8067
 RamAct Fr= 1--     22.1950                 2.2190                 0.8141
  Dep-P Fr= 1--      0.0842                 0.7263                 0.5032
  Dep-U Fr= 1--      0.1554                 0.8414                 0.6695
 Alpha2 Fr= 1--      0.4038                 0.0009                 0.0040
 Beta2  Fr= 1--      0.5748                 0.3112                 0.0908
 AlphaG Fr= 1--      0.0812                -0.0104                -0.0185
 Gamma2 Fr= 1--      1.9496                 0.0199                 0.1688
 Delta2 Fr= 1--     -0.6493                 0.2088                 0.1786
 Raman1 Fr= 1--      88.780                  8.876                  3.257
 ROA1   Fr= 1--     166.385                  8.589                 21.919
 CID1   Fr= 1--       1.874                  0.968                  6.731
 Raman2 Fr= 1--       6.897                  3.734                  1.090
 ROA2   Fr= 1--      51.985                 -1.193                  2.622
 CID2   Fr= 1--       7.537                 -0.319                  2.406
 Raman3 Fr= 1--      13.795                  7.468                  2.180
 ROA3   Fr= 1--     166.385                  8.589                 21.919
 CID3   Fr= 1--      12.062                  1.150                 10.054
 RC180  Fr= 1--      -0.689                  0.683                  0.339
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.04     0.00  -0.00  -0.03    -0.01   0.02   0.08
     2   6     0.07  -0.02   0.03    -0.01   0.01   0.11     0.01   0.00  -0.02
     3   6    -0.12   0.09   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.17
     4   6    -0.00  -0.02   0.05     0.00   0.00   0.02     0.00   0.01   0.07
     5   6    -0.07  -0.03  -0.03    -0.00  -0.01  -0.05    -0.02  -0.02   0.00
     6   6    -0.04   0.01  -0.03     0.00  -0.00  -0.05    -0.01   0.00   0.02
     7   6     0.02  -0.02   0.02    -0.00   0.00   0.02    -0.00  -0.01   0.00
     8   1    -0.27   0.04  -0.19    -0.00   0.00  -0.00    -0.08   0.11   0.88
     9   1    -0.09  -0.00   0.10    -0.03   0.04   0.36    -0.02  -0.01  -0.02
    10   1    -0.12   0.02   0.19    -0.01   0.02   0.16     0.01  -0.00  -0.07
    11   6     0.16   0.06  -0.11     0.00   0.00   0.00     0.01   0.02   0.01
    12   6     0.05   0.01  -0.06    -0.00  -0.00  -0.01    -0.01  -0.01  -0.03
    13   6    -0.05  -0.10   0.05     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    14   1     0.22   0.06  -0.01     0.01   0.00   0.02     0.01   0.02   0.02
    15   1     0.02   0.02   0.31    -0.01  -0.00   0.00    -0.01  -0.02   0.02
    16   1    -0.31  -0.24  -0.35    -0.02  -0.02  -0.02    -0.06  -0.05  -0.08
    17   1    -0.06   0.03   0.22    -0.00  -0.00   0.01    -0.02  -0.01   0.02
    18   8    -0.10  -0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8     0.07   0.04   0.10     0.00   0.00   0.00     0.01   0.00   0.01
    20   1     0.04   0.03  -0.11     0.00  -0.01   0.00    -0.00   0.03   0.00
    21   6     0.03  -0.02   0.02     0.00  -0.01  -0.03    -0.00  -0.02  -0.05
    22   6     0.05   0.02  -0.03    -0.01   0.01   0.09     0.01   0.00   0.02
    23   6     0.14  -0.06   0.04     0.02  -0.02  -0.18     0.02   0.00   0.00
    24   8    -0.02   0.05  -0.00     0.00   0.00  -0.02    -0.00   0.01  -0.01
    25   6    -0.07  -0.04  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    26   1     0.14   0.00  -0.05     0.01  -0.00  -0.03     0.03  -0.01  -0.12
    27   1     0.02  -0.02  -0.11    -0.01   0.00   0.04    -0.04   0.03   0.34
    28   1     0.29  -0.05  -0.13    -0.06   0.09   0.87     0.03   0.01   0.04
    29   1    -0.03  -0.03   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    30   1    -0.03  -0.04   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.09  -0.08  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    937.7349               948.3059               978.3158
 Red. masses --      4.3978                 1.3319                 1.6526
 Frc consts  --      2.2785                 0.7057                 0.9319
 IR Inten    --     10.4377                 1.8608                 1.6245
 RamAct Fr= 1--      5.7720                 1.1533                10.0093
  Dep-P Fr= 1--      0.2771                 0.6482                 0.2159
  Dep-U Fr= 1--      0.4339                 0.7866                 0.3551
 Alpha2 Fr= 1--      0.0633                 0.0021                 0.1303
 Beta2  Fr= 1--      0.4174                 0.1512                 0.5924
 AlphaG Fr= 1--     -0.0367                 0.0197                -0.3566
 Gamma2 Fr= 1--     -4.3809                 0.1962                -4.8193
 Delta2 Fr= 1--      0.2408                -0.2339                -0.6204
 Raman1 Fr= 1--      23.088                  4.613                 40.037
 ROA1   Fr= 1--    -412.858                 11.353               -482.502
 CID1   Fr= 1--     -17.882                  2.461                -12.051
 Raman2 Fr= 1--       5.009                  1.814                  7.109
 ROA2   Fr= 1--    -107.068                  6.580               -110.700
 CID2   Fr= 1--     -21.374                  3.627                -15.572
 Raman3 Fr= 1--      10.019                  3.628                 14.218
 ROA3   Fr= 1--    -412.858                 11.353               -482.502
 CID3   Fr= 1--     -41.210                  3.129                -33.937
 RC180  Fr= 1--      -0.132                  0.573                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.06   0.01    -0.01   0.00   0.03    -0.01  -0.01  -0.01
     2   6    -0.06  -0.07   0.00    -0.00  -0.00   0.01     0.00   0.01  -0.02
     3   6    -0.13  -0.13  -0.02    -0.00  -0.01  -0.05    -0.00   0.07   0.01
     4   6    -0.13  -0.02   0.01    -0.01   0.00   0.02     0.03  -0.01   0.01
     5   6     0.17   0.20  -0.01     0.01   0.01  -0.01    -0.02  -0.07  -0.10
     6   6     0.05   0.01  -0.01     0.00   0.00   0.00    -0.01   0.07   0.10
     7   6     0.04   0.04   0.02     0.01  -0.01  -0.12    -0.01  -0.05   0.01
     8   1    -0.19  -0.13   0.12    -0.03   0.02   0.24     0.00   0.06  -0.07
     9   1     0.27   0.11  -0.01     0.01   0.01   0.08    -0.05  -0.02   0.64
    10   1    -0.21  -0.03   0.05    -0.01  -0.00  -0.03     0.16   0.01  -0.63
    11   6     0.05  -0.02  -0.08     0.01   0.00   0.00     0.01  -0.00   0.03
    12   6     0.08   0.02   0.01     0.00  -0.00  -0.01    -0.03   0.00  -0.02
    13   6    -0.01  -0.03   0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.16  -0.02  -0.10     0.01   0.00   0.01     0.04   0.01   0.10
    15   1     0.08   0.11   0.31    -0.00   0.00   0.02    -0.04  -0.07  -0.09
    16   1    -0.16  -0.07  -0.15    -0.02  -0.02  -0.03     0.01  -0.04  -0.02
    17   1    -0.07   0.03   0.12    -0.01   0.00   0.01     0.05   0.00   0.04
    18   8    -0.03  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8     0.02   0.01   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.01
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00    -0.00  -0.01  -0.01
    21   6     0.16   0.20  -0.03     0.00   0.02   0.09     0.04   0.08  -0.01
    22   6    -0.12  -0.02  -0.00    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01
    23   6    -0.14  -0.13  -0.00    -0.00  -0.01  -0.01    -0.01  -0.08   0.03
    24   8    -0.00  -0.08   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    25   6     0.11   0.08   0.00     0.00   0.00   0.00     0.02   0.01   0.00
    26   1    -0.17  -0.02  -0.16    -0.07   0.08   0.74    -0.14  -0.08  -0.06
    27   1     0.23   0.14   0.14     0.06  -0.05  -0.58    -0.01   0.13   0.00
    28   1    -0.23  -0.15   0.02    -0.01  -0.00   0.05    -0.03  -0.10  -0.07
    29   1     0.05   0.06  -0.01     0.01   0.01   0.00     0.00   0.01  -0.00
    30   1     0.05   0.06   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    31   1     0.13   0.12   0.00     0.01   0.00  -0.02     0.03   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.3636              1011.2234              1069.8029
 Red. masses --      2.3418                 1.7381                 3.6666
 Frc consts  --      1.3288                 1.0472                 2.4724
 IR Inten    --      1.8293                 6.1291                56.9896
 RamAct Fr= 1--     15.1707                 3.3966                 2.8040
  Dep-P Fr= 1--      0.1674                 0.2761                 0.0922
  Dep-U Fr= 1--      0.2868                 0.4327                 0.1689
 Alpha2 Fr= 1--      0.2243                 0.0374                 0.0500
 Beta2  Fr= 1--      0.7252                 0.2450                 0.0789
 AlphaG Fr= 1--      0.3042                 0.0158                 0.0011
 Gamma2 Fr= 1--      4.7520                 0.0768                 0.0665
 Delta2 Fr= 1--      1.2451                -0.5241                 0.0317
 Raman1 Fr= 1--      60.683                 13.586                 11.216
 ROA1   Fr= 1--     496.037                 -9.399                  7.400
 CID1   Fr= 1--       8.174                 -0.692                  0.660
 Raman2 Fr= 1--       8.703                  2.939                  0.947
 ROA2   Fr= 1--     104.087                  6.036                  1.343
 CID2   Fr= 1--      11.961                  2.054                  1.418
 Raman3 Fr= 1--      17.405                  5.879                  1.894
 ROA3   Fr= 1--     496.037                 -9.399                  7.400
 CID3   Fr= 1--      28.500                 -1.599                  3.907
 RC180  Fr= 1--      -0.426                 -0.135                 -0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.02   0.01  -0.00    -0.02  -0.01  -0.00
     2   6    -0.00  -0.02  -0.01    -0.02  -0.02  -0.00    -0.06   0.05  -0.01
     3   6    -0.01  -0.13   0.02    -0.01  -0.03   0.01     0.02  -0.05   0.01
     4   6    -0.06   0.01   0.01     0.05  -0.07  -0.01     0.01   0.00   0.00
     5   6     0.06   0.11  -0.10     0.03   0.10   0.01     0.03   0.04  -0.00
     6   6    -0.02  -0.08   0.09    -0.03   0.02  -0.01    -0.00  -0.04   0.00
     7   6     0.02   0.09  -0.00     0.01   0.01   0.00    -0.03   0.03  -0.01
     8   1    -0.02  -0.14  -0.01    -0.13  -0.06  -0.04     0.04  -0.05   0.01
     9   1    -0.04   0.24   0.51    -0.02   0.16  -0.11    -0.04   0.11  -0.01
    10   1    -0.19  -0.20  -0.50    -0.22  -0.02   0.02     0.02  -0.04   0.00
    11   6     0.00  -0.01  -0.03     0.06  -0.05   0.12    -0.00   0.01  -0.00
    12   6     0.03  -0.00   0.01    -0.08   0.03  -0.10    -0.01  -0.01   0.01
    13   6    -0.00  -0.01  -0.00    -0.01   0.07   0.01     0.00  -0.01   0.00
    14   1    -0.01  -0.01  -0.08     0.39  -0.01   0.48    -0.00   0.01  -0.03
    15   1     0.05   0.09   0.15    -0.18  -0.34  -0.29     0.00   0.01  -0.02
    16   1    -0.05   0.02  -0.03    -0.00  -0.26  -0.14     0.02   0.03   0.03
    17   1    -0.06   0.00  -0.01     0.21   0.03   0.27    -0.00  -0.01  -0.03
    18   8    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00   0.00   0.00
    19   8     0.01   0.00   0.01    -0.01  -0.01  -0.03     0.00   0.00  -0.00
    20   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00  -0.00   0.00
    21   6    -0.06  -0.14   0.01    -0.00  -0.01   0.00     0.04   0.10  -0.01
    22   6     0.04   0.00  -0.00     0.01   0.00   0.00     0.15  -0.08   0.02
    23   6     0.01   0.14  -0.00     0.01   0.01  -0.00    -0.05  -0.08   0.00
    24   8     0.00   0.03  -0.00     0.00   0.01  -0.00     0.19   0.19  -0.00
    25   6    -0.03  -0.02  -0.00    -0.01  -0.00  -0.00    -0.21  -0.18   0.00
    26   1     0.26   0.13  -0.03     0.06   0.02   0.00    -0.24  -0.02  -0.02
    27   1     0.03  -0.23   0.03    -0.00  -0.01   0.00    -0.08   0.25  -0.03
    28   1     0.07   0.15  -0.07     0.05   0.03   0.00    -0.67  -0.24  -0.03
    29   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13   0.02
    30   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00    -0.12  -0.13  -0.01
    31   1    -0.05  -0.05   0.00    -0.01  -0.01   0.00    -0.18  -0.14   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1088.3007              1103.8713              1165.9612
 Red. masses --      1.7831                 2.5888                 1.6234
 Frc consts  --      1.2443                 1.8586                 1.3003
 IR Inten    --     14.6257                10.3216                20.9241
 RamAct Fr= 1--      2.8658                 9.2492                 2.0807
  Dep-P Fr= 1--      0.2517                 0.3578                 0.6681
  Dep-U Fr= 1--      0.4022                 0.5271                 0.8010
 Alpha2 Fr= 1--      0.0338                 0.0792                 0.0030
 Beta2  Fr= 1--      0.1921                 0.8125                 0.2778
 AlphaG Fr= 1--     -0.0326                 0.0941                 0.0015
 Gamma2 Fr= 1--      0.4126                -0.3925                 1.5804
 Delta2 Fr= 1--     -0.6774                 1.2383                 4.6463
 Raman1 Fr= 1--      11.463                 36.997                  8.323
 ROA1   Fr= 1--      17.932                  1.942                300.403
 CID1   Fr= 1--       1.564                  0.052                 36.094
 Raman2 Fr= 1--       2.305                  9.750                  3.333
 ROA2   Fr= 1--      15.322                -19.328                  0.760
 CID2   Fr= 1--       6.646                 -1.982                  0.228
 Raman3 Fr= 1--       4.611                 19.500                  6.667
 ROA3   Fr= 1--      17.932                  1.942                300.403
 CID3   Fr= 1--       3.889                  0.100                 45.059
 RC180  Fr= 1--      -0.196                  0.054                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.03   0.02  -0.00    -0.01   0.08  -0.01
     2   6     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.06  -0.01
     3   6    -0.01   0.00   0.01    -0.04  -0.05   0.01     0.02  -0.07   0.01
     4   6    -0.06   0.05  -0.06     0.04  -0.01  -0.02     0.05  -0.02  -0.00
     5   6    -0.01  -0.04   0.01     0.02   0.03   0.00    -0.02   0.04  -0.01
     6   6     0.02  -0.02   0.00    -0.00  -0.00   0.00     0.02  -0.06   0.01
     7   6    -0.00   0.01  -0.00    -0.00  -0.01   0.00     0.03  -0.07   0.01
     8   1     0.13   0.02  -0.05    -0.25  -0.11  -0.04    -0.20  -0.13  -0.02
     9   1     0.03  -0.10  -0.02    -0.03   0.08  -0.01    -0.32   0.36  -0.07
    10   1     0.12  -0.00   0.00    -0.09  -0.02  -0.01     0.16  -0.03   0.01
    11   6    -0.03   0.01   0.13     0.13   0.20   0.13    -0.05   0.01   0.01
    12   6     0.10  -0.04  -0.11    -0.07  -0.16  -0.04     0.02  -0.01  -0.00
    13   6     0.00   0.07   0.06     0.03  -0.07   0.12    -0.01   0.01  -0.07
    14   1    -0.27   0.03   0.33     0.10   0.17  -0.19    -0.22   0.02   0.09
    15   1     0.10   0.12   0.47     0.05   0.19  -0.16     0.03   0.03   0.09
    16   1    -0.38  -0.16  -0.43     0.06   0.26   0.16    -0.06   0.00  -0.04
    17   1    -0.29  -0.02   0.05    -0.22  -0.18  -0.61    -0.07  -0.00  -0.00
    18   8     0.04   0.00  -0.01     0.00   0.01  -0.00    -0.01  -0.01   0.00
    19   8    -0.03  -0.02  -0.05    -0.04  -0.00  -0.07     0.02   0.01   0.02
    20   1    -0.03  -0.01  -0.06    -0.07  -0.03  -0.27     0.05   0.03   0.19
    21   6     0.01  -0.00   0.00     0.02   0.01   0.00    -0.04   0.04  -0.01
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    23   6    -0.01   0.01  -0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.06  -0.02  -0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.04   0.03   0.00
    26   1    -0.04   0.01  -0.00     0.04  -0.01   0.00     0.34  -0.01   0.03
    27   1     0.04  -0.04   0.01    -0.00   0.03  -0.00    -0.42   0.44  -0.08
    28   1    -0.06  -0.01  -0.00     0.03  -0.01   0.00    -0.07  -0.09   0.00
    29   1     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.01   0.01  -0.01
    30   1     0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.02  -0.00
    31   1    -0.01  -0.00   0.00     0.01   0.01   0.00     0.00  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5447              1177.3261              1184.8988
 Red. masses --      1.2709                 2.2582                 1.5629
 Frc consts  --      1.0295                 1.8442                 1.2928
 IR Inten    --      0.9501                54.7240                34.9415
 RamAct Fr= 1--      0.8019                27.0208                 1.6166
  Dep-P Fr= 1--      0.7434                 0.4975                 0.3588
  Dep-U Fr= 1--      0.8528                 0.6644                 0.5281
 Alpha2 Fr= 1--      0.0001                 0.1350                 0.0138
 Beta2  Fr= 1--      0.1140                 2.9922                 0.1423
 AlphaG Fr= 1--     -0.0086                -0.0814                 0.0002
 Gamma2 Fr= 1--     -0.2466               -11.5346                 0.1145
 Delta2 Fr= 1--     -0.0125                -5.7047                 0.0793
 Raman1 Fr= 1--       3.208                108.083                  6.466
 ROA1   Fr= 1--     -24.069              -1289.875                 13.530
 CID1   Fr= 1--      -7.503                -11.934                  2.092
 Raman2 Fr= 1--       1.368                 35.907                  1.707
 ROA2   Fr= 1--      -5.818               -231.193                  2.114
 CID2   Fr= 1--      -4.253                 -6.439                  1.238
 Raman3 Fr= 1--       2.736                 71.813                  3.415
 ROA3   Fr= 1--     -24.069              -1289.875                 13.530
 CID3   Fr= 1--      -8.798                -17.961                  3.962
 RC180  Fr= 1--       0.706                  0.329                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.03  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.03  -0.00    -0.08  -0.05  -0.00
     3   6     0.00  -0.00   0.00     0.02  -0.01  -0.01     0.03   0.02   0.00
     4   6     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.01  -0.03   0.00
     5   6    -0.00   0.00   0.00    -0.02   0.01  -0.01     0.05  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.02   0.05  -0.01
     7   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.05  -0.03   0.01
     8   1    -0.00  -0.00  -0.00     0.18   0.03   0.05    -0.01   0.01  -0.00
     9   1    -0.00   0.00  -0.00    -0.13   0.12  -0.00     0.33  -0.30   0.06
    10   1     0.00  -0.00  -0.00     0.15  -0.01   0.02    -0.21   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.01  -0.06  -0.09    -0.03   0.01   0.00
    12   6     0.00  -0.00  -0.00     0.01   0.07   0.01     0.01  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.04  -0.01   0.24     0.00  -0.00   0.01
    14   1    -0.00   0.00   0.00     0.17  -0.08  -0.29    -0.06   0.01  -0.03
    15   1     0.00   0.00   0.00    -0.04  -0.11  -0.03     0.02   0.03   0.05
    16   1    -0.00   0.00  -0.00     0.03  -0.11  -0.03    -0.03   0.01  -0.03
    17   1    -0.00  -0.00  -0.00     0.14   0.08   0.21    -0.03  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.06   0.02  -0.02     0.01   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.08  -0.02  -0.06    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.01    -0.16  -0.08  -0.62    -0.01  -0.00  -0.02
    21   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.06  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.02  -0.01   0.00    -0.06   0.05  -0.01
    23   6     0.00  -0.00  -0.00     0.01  -0.02   0.00    -0.04  -0.03   0.00
    24   8    -0.01   0.01   0.06    -0.03  -0.01  -0.00     0.05   0.05  -0.00
    25   6     0.01  -0.01  -0.14     0.01   0.02  -0.00     0.02  -0.10   0.01
    26   1     0.00  -0.00  -0.00     0.23   0.03   0.02     0.44   0.05   0.03
    27   1    -0.00   0.00   0.01    -0.22   0.23  -0.04    -0.25   0.20  -0.04
    28   1    -0.00   0.00   0.01    -0.06  -0.04   0.00     0.27   0.04   0.02
    29   1     0.44   0.48   0.17     0.02   0.01  -0.00    -0.25  -0.01   0.04
    30   1    -0.47  -0.44   0.19     0.01  -0.00   0.01    -0.24  -0.02  -0.07
    31   1    -0.02   0.03   0.28    -0.03  -0.04   0.01     0.30   0.31  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.0584              1200.7887              1213.9668
 Red. masses --      1.4851                 1.3469                 1.6612
 Frc consts  --      1.2371                 1.1442                 1.4424
 IR Inten    --     38.3792                28.9384                30.9831
 RamAct Fr= 1--      2.3325                74.8648                47.1449
  Dep-P Fr= 1--      0.7283                 0.2572                 0.2708
  Dep-U Fr= 1--      0.8428                 0.4091                 0.4262
 Alpha2 Fr= 1--      0.0009                 0.8695                 0.5267
 Beta2  Fr= 1--      0.3276                 5.1052                 3.3492
 AlphaG Fr= 1--      0.0006                -0.0380                -0.0300
 Gamma2 Fr= 1--      3.1640                 4.7914                -1.1459
 Delta2 Fr= 1--      0.1160                 2.9754                -0.0609
 Raman1 Fr= 1--       9.330                299.459                188.580
 ROA1   Fr= 1--     307.457                555.188               -111.953
 CID1   Fr= 1--      32.953                  1.854                 -0.594
 Raman2 Fr= 1--       3.932                 61.262                 40.190
 ROA2   Fr= 1--      75.008                 91.191                -27.014
 CID2   Fr= 1--      19.079                  1.489                 -0.672
 Raman3 Fr= 1--       7.863                122.524                 80.381
 ROA3   Fr= 1--     307.457                555.188               -111.953
 CID3   Fr= 1--      39.101                  4.531                 -1.393
 RC180  Fr= 1--       0.686                 -0.182                 -0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.04  -0.00    -0.05  -0.02  -0.00    -0.01   0.02  -0.00
     2   6    -0.10  -0.01  -0.01    -0.02  -0.02   0.00    -0.09  -0.04  -0.00
     3   6     0.01  -0.02   0.00     0.02   0.03   0.00     0.03   0.00   0.00
     4   6    -0.04  -0.01  -0.00    -0.07   0.01  -0.01     0.10  -0.06   0.01
     5   6    -0.04   0.03  -0.01     0.00  -0.02   0.00     0.04   0.02   0.00
     6   6     0.06   0.01   0.00    -0.00   0.00  -0.00    -0.01   0.06  -0.01
     7   6     0.03   0.02   0.00     0.03   0.03  -0.00     0.00  -0.00   0.00
     8   1     0.31   0.05   0.01     0.45   0.13   0.01    -0.36  -0.09  -0.02
     9   1    -0.23   0.24  -0.05     0.24  -0.27   0.04     0.12  -0.06   0.02
    10   1     0.65   0.14   0.04    -0.16  -0.03  -0.01    -0.07   0.05  -0.01
    11   6     0.02   0.01   0.02     0.04   0.01   0.03    -0.07   0.02  -0.02
    12   6    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00     0.03   0.02  -0.00
    13   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.04     0.01   0.00   0.03
    14   1     0.16   0.01   0.02     0.22   0.01   0.06    -0.31   0.01  -0.08
    15   1     0.00   0.01  -0.01     0.01   0.03  -0.02     0.02   0.01   0.07
    16   1     0.01   0.02   0.02     0.02   0.04   0.04    -0.06  -0.01  -0.06
    17   1    -0.01  -0.02  -0.05    -0.01  -0.03  -0.08    -0.04   0.02   0.06
    18   8    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.01  -0.01
    19   8     0.01   0.00   0.00     0.01   0.01   0.01    -0.01  -0.00  -0.01
    20   1     0.02   0.02   0.08     0.03   0.02   0.10    -0.02  -0.01  -0.09
    21   6     0.00   0.02  -0.00    -0.02   0.03  -0.01    -0.01   0.02  -0.00
    22   6    -0.06  -0.02  -0.00     0.05  -0.04   0.01    -0.01  -0.04   0.00
    23   6     0.02  -0.01   0.00     0.01   0.01   0.00     0.00   0.00  -0.00
    24   8     0.05   0.01   0.00    -0.02  -0.03   0.00     0.06  -0.03   0.01
    25   6    -0.03  -0.03   0.00    -0.03   0.07  -0.01    -0.08   0.06  -0.01
    26   1     0.14   0.05   0.01     0.38   0.11   0.02    -0.11  -0.03  -0.01
    27   1     0.13  -0.11   0.02    -0.24   0.27  -0.05    -0.04   0.05  -0.01
    28   1     0.46   0.10   0.03    -0.12  -0.03  -0.01     0.41   0.10   0.02
    29   1     0.00  -0.01   0.01     0.20   0.00  -0.03     0.31  -0.01  -0.03
    30   1     0.01  -0.01  -0.01     0.19   0.01   0.06     0.30  -0.00   0.08
    31   1     0.02   0.04  -0.00    -0.25  -0.27   0.01    -0.36  -0.35   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1280.1118              1284.2062              1296.2470
 Red. masses --      2.4248                 1.5381                 1.7678
 Frc consts  --      2.3411                 1.4946                 1.7501
 IR Inten    --     45.4043                31.7148                24.1869
 RamAct Fr= 1--      8.1805                 6.0755                 3.5426
  Dep-P Fr= 1--      0.4072                 0.7437                 0.5175
  Dep-U Fr= 1--      0.5787                 0.8530                 0.6820
 Alpha2 Fr= 1--      0.0590                 0.0006                 0.0161
 Beta2  Fr= 1--      0.7891                 0.8638                 0.4027
 AlphaG Fr= 1--     -0.0492                -0.0008                 0.0029
 Gamma2 Fr= 1--      0.0294                -5.5223                11.7718
 Delta2 Fr= 1--     -0.1315                -0.0223                -0.3669
 Raman1 Fr= 1--      32.722                 24.302                 14.171
 ROA1   Fr= 1--      -1.385               -530.851               1118.351
 CID1   Fr= 1--      -0.042                -21.844                 78.921
 Raman2 Fr= 1--       9.469                 10.365                  4.832
 ROA2   Fr= 1--       1.758               -132.356                285.458
 CID2   Fr= 1--       0.186                -12.769                 59.072
 Raman3 Fr= 1--      18.938                 20.730                  9.665
 ROA3   Fr= 1--      -1.385               -530.851               1118.351
 CID3   Fr= 1--      -0.073                -25.608                115.713
 RC180  Fr= 1--       0.157                  0.706                  0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22   0.06   0.01     0.02   0.05  -0.00    -0.05   0.13  -0.02
     2   6     0.01   0.02  -0.00    -0.00   0.03  -0.00    -0.03   0.14  -0.02
     3   6    -0.04  -0.00  -0.00     0.03   0.03   0.00     0.03  -0.06   0.01
     4   6    -0.15   0.13  -0.02     0.01  -0.08  -0.00    -0.03   0.01   0.00
     5   6    -0.00   0.00  -0.00     0.01   0.01  -0.00     0.03  -0.01   0.00
     6   6    -0.02  -0.06   0.01    -0.00  -0.01   0.00    -0.02  -0.06   0.01
     7   6     0.02  -0.05   0.01     0.00  -0.03   0.00    -0.02  -0.05   0.00
     8   1    -0.37  -0.07  -0.02     0.19   0.07  -0.01     0.45   0.03   0.04
     9   1     0.12  -0.14   0.02    -0.08   0.10  -0.01     0.08  -0.07   0.01
    10   1     0.34   0.01   0.03    -0.21  -0.05  -0.01    -0.35  -0.14  -0.02
    11   6     0.07  -0.03   0.01    -0.14   0.03   0.05     0.03  -0.01  -0.04
    12   6    -0.03  -0.01  -0.00     0.05  -0.00  -0.02    -0.01  -0.02   0.01
    13   6    -0.00  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.02  -0.04
    14   1     0.37  -0.02   0.06     0.63  -0.01  -0.39    -0.09   0.02   0.29
    15   1    -0.02   0.00  -0.04     0.03  -0.00   0.14     0.02   0.05  -0.02
    16   1     0.07  -0.00   0.05    -0.11   0.01  -0.10     0.03   0.04   0.05
    17   1     0.07  -0.01  -0.02    -0.13   0.00   0.04     0.02  -0.02  -0.04
    18   8    -0.02  -0.01   0.00    -0.02   0.00  -0.01     0.02   0.00   0.01
    19   8     0.01   0.00  -0.02     0.01   0.01  -0.04    -0.01  -0.00   0.03
    20   1     0.04   0.02   0.17     0.07   0.05   0.39    -0.05  -0.03  -0.28
    21   6    -0.05  -0.04   0.00    -0.00  -0.01   0.00     0.04  -0.00   0.00
    22   6    -0.05   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.03   0.00
    23   6    -0.07  -0.02  -0.00     0.01  -0.00   0.00     0.03  -0.06   0.01
    24   8     0.07  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.01  -0.00
    25   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    26   1    -0.26  -0.13  -0.01    -0.26  -0.09  -0.01    -0.39  -0.13  -0.02
    27   1    -0.32   0.24  -0.05    -0.00  -0.00   0.00     0.03   0.01   0.00
    28   1     0.29   0.07   0.02     0.07   0.01   0.01     0.47   0.05   0.03
    29   1     0.11  -0.00  -0.00    -0.01   0.00   0.00    -0.02   0.00   0.00
    30   1     0.11  -0.00   0.02    -0.01   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.11  -0.11   0.00     0.02   0.01  -0.00     0.02   0.01  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.7568              1310.3905              1340.5377
 Red. masses --      2.5313                 1.6577                 1.7942
 Frc consts  --      2.5467                 1.6771                 1.8997
 IR Inten    --    237.6773               173.7708               124.7663
 RamAct Fr= 1--     31.9167                 6.9144                 5.1707
  Dep-P Fr= 1--      0.2306                 0.2926                 0.6393
  Dep-U Fr= 1--      0.3748                 0.4528                 0.7799
 Alpha2 Fr= 1--      0.3991                 0.0725                 0.0103
 Beta2  Fr= 1--      1.9936                 0.5218                 0.6721
 AlphaG Fr= 1--     -0.1190                 0.0770                -0.0224
 Gamma2 Fr= 1--     -0.6116                -4.0469                -0.9503
 Delta2 Fr= 1--      0.7654                -1.2897                 1.4109
 Raman1 Fr= 1--     127.667                 27.657                 20.683
 ROA1   Fr= 1--     -34.220               -429.769                -46.085
 CID1   Fr= 1--      -0.268                -15.539                 -2.228
 Raman2 Fr= 1--      23.923                  6.261                  8.066
 ROA2   Fr= 1--     -20.801                -86.808                -34.095
 CID2   Fr= 1--      -0.870                -13.864                 -4.227
 Raman3 Fr= 1--      47.846                 12.523                 16.131
 ROA3   Fr= 1--     -34.220               -429.769                -46.085
 CID3   Fr= 1--      -0.715                -34.319                 -2.857
 RC180  Fr= 1--      -0.250                 -0.094                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03   0.01    -0.05   0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.12  -0.08  -0.00    -0.04   0.02  -0.01    -0.01  -0.01   0.00
     3   6     0.02   0.04  -0.00     0.01  -0.05   0.01     0.01   0.01  -0.01
     4   6    -0.02  -0.02  -0.00     0.00   0.06  -0.00     0.01  -0.03   0.02
     5   6    -0.00   0.04  -0.00     0.01  -0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.00    -0.01  -0.01   0.00     0.01   0.01  -0.00
     7   6     0.02   0.09  -0.01    -0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.25  -0.02  -0.02     0.03  -0.05   0.00    -0.01   0.02   0.04
     9   1     0.17  -0.14   0.03     0.16  -0.17   0.03    -0.02   0.03   0.01
    10   1     0.34   0.11   0.02     0.03  -0.00   0.01    -0.04   0.00  -0.00
    11   6    -0.03   0.01  -0.01     0.10  -0.02   0.04    -0.02   0.01  -0.17
    12   6     0.01  -0.02   0.00    -0.03   0.05  -0.02     0.01  -0.05   0.05
    13   6    -0.00  -0.01  -0.04     0.00   0.01   0.09     0.00   0.04   0.15
    14   1     0.19   0.03   0.14    -0.44  -0.08  -0.42     0.07   0.11   0.75
    15   1     0.03   0.06   0.05    -0.08  -0.11  -0.08     0.08   0.14  -0.06
    16   1    -0.02   0.06   0.01     0.05  -0.14  -0.04    -0.02   0.12   0.08
    17   1    -0.05  -0.02  -0.03     0.13   0.06   0.11    -0.04  -0.06  -0.18
    18   8     0.02   0.01   0.01    -0.04  -0.02  -0.01    -0.02  -0.01  -0.02
    19   8    -0.01   0.00   0.04     0.02   0.00  -0.08     0.01  -0.01  -0.08
    20   1    -0.05  -0.02  -0.26     0.12   0.06   0.61     0.08   0.06   0.49
    21   6     0.02  -0.03   0.01     0.03  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.18  -0.14   0.03     0.06  -0.04   0.01     0.01  -0.01   0.00
    23   6     0.02   0.04  -0.00     0.02  -0.02   0.00     0.01   0.01  -0.00
    24   8    -0.14   0.04  -0.02    -0.05   0.01  -0.01    -0.01   0.00  -0.00
    25   6     0.09   0.00   0.01     0.03   0.00   0.00     0.00   0.00   0.00
    26   1    -0.45  -0.02  -0.04    -0.09   0.01  -0.01    -0.01   0.00   0.00
    27   1    -0.23   0.24  -0.04    -0.00   0.04  -0.00     0.00  -0.00   0.00
    28   1     0.14   0.06   0.00     0.15   0.01   0.01    -0.04  -0.00  -0.00
    29   1    -0.26  -0.00  -0.00    -0.08   0.00  -0.00    -0.01   0.00   0.00
    30   1    -0.26  -0.00  -0.04    -0.08   0.00  -0.01    -0.01   0.00  -0.00
    31   1     0.08   0.01   0.01     0.03   0.01   0.00     0.01   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1383.0869              1402.2030              1416.1768
 Red. masses --      2.5203                 2.6303                 2.0517
 Frc consts  --      2.8406                 3.0471                 2.4244
 IR Inten    --     14.1464                 4.9147                 5.2270
 RamAct Fr= 1--    106.5677                72.1143               334.7542
  Dep-P Fr= 1--      0.2161                 0.1779                 0.2108
  Dep-U Fr= 1--      0.3554                 0.3021                 0.3481
 Alpha2 Fr= 1--      1.3863                 1.0377                 4.4175
 Beta2  Fr= 1--      6.3118                 3.6308                19.4239
 AlphaG Fr= 1--      0.1918                -0.1613                -1.1524
 Gamma2 Fr= 1--      0.2541                 0.9728                -3.3963
 Delta2 Fr= 1--     -1.6170                -1.6491                 1.3144
 Raman1 Fr= 1--     426.271                288.457               1339.017
 ROA1   Fr= 1--     -27.349                 40.620               -283.981
 CID1   Fr= 1--      -0.064                  0.141                 -0.212
 Raman2 Fr= 1--      75.742                 43.570                233.087
 ROA2   Fr= 1--      19.035                 36.541                -92.026
 CID2   Fr= 1--       0.251                  0.839                 -0.395
 Raman3 Fr= 1--     151.484                 87.140                466.174
 ROA3   Fr= 1--     -27.349                 40.620               -283.981
 CID3   Fr= 1--      -0.181                  0.466                 -0.609
 RC180  Fr= 1--      -0.289                 -0.396                 -0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.13  -0.02    -0.05  -0.06   0.00     0.02  -0.13   0.02
     2   6    -0.05  -0.06   0.00    -0.07   0.12  -0.02    -0.03   0.13  -0.02
     3   6     0.08  -0.07   0.02     0.11   0.02   0.01    -0.06  -0.03  -0.00
     4   6     0.04   0.08  -0.01    -0.03   0.04  -0.01     0.07   0.10  -0.01
     5   6     0.00   0.04  -0.00    -0.07   0.05  -0.01     0.07  -0.05   0.01
     6   6    -0.07  -0.02  -0.00     0.02  -0.08   0.01    -0.10  -0.02  -0.01
     7   6    -0.14  -0.05  -0.01     0.11  -0.05   0.01    -0.01   0.02  -0.00
     8   1    -0.08  -0.12   0.00    -0.49  -0.12  -0.03    -0.10  -0.05  -0.00
     9   1     0.32  -0.29   0.06     0.28  -0.34   0.06     0.07  -0.03   0.02
    10   1     0.46   0.10   0.03    -0.05  -0.11   0.01     0.03   0.01  -0.00
    11   6    -0.06  -0.02  -0.01    -0.01  -0.01   0.00    -0.04  -0.01  -0.00
    12   6     0.01  -0.01  -0.01    -0.02  -0.02  -0.03     0.06   0.04   0.10
    13   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    14   1     0.32  -0.00   0.05     0.15  -0.01   0.02     0.23  -0.01   0.00
    15   1     0.02   0.03   0.06     0.02   0.11   0.15    -0.01  -0.25  -0.45
    16   1     0.01   0.07   0.02     0.12   0.09   0.09    -0.39  -0.19  -0.26
    17   1    -0.03  -0.01   0.05     0.08  -0.01   0.14    -0.25   0.00  -0.39
    18   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    20   1    -0.00   0.00  -0.01    -0.01   0.01  -0.02    -0.00  -0.00  -0.02
    21   6     0.05  -0.03   0.01    -0.13   0.11  -0.02    -0.01   0.03  -0.00
    22   6     0.10   0.17  -0.01    -0.07  -0.07   0.00     0.02  -0.03   0.00
    23   6     0.01  -0.10   0.01     0.19   0.03   0.01     0.03  -0.02   0.01
    24   8    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01   0.00  -0.00
    25   6    -0.00   0.03  -0.00    -0.01  -0.01   0.00     0.01   0.00   0.00
    26   1     0.26   0.04   0.02    -0.02  -0.09   0.01     0.23   0.08   0.01
    27   1     0.30  -0.28   0.05     0.23  -0.28   0.05     0.06  -0.04   0.01
    28   1    -0.18  -0.16   0.00    -0.29  -0.08  -0.02     0.16   0.00   0.01
    29   1     0.02  -0.03  -0.03     0.08   0.01   0.02    -0.03  -0.01  -0.01
    30   1     0.01  -0.02   0.04     0.08   0.01  -0.00    -0.03  -0.00   0.00
    31   1    -0.07  -0.06   0.00     0.10   0.15  -0.01    -0.01  -0.02   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1420.1996              1456.8193              1480.0713
 Red. masses --      1.8494                 3.5640                 1.2120
 Frc consts  --      2.1978                 4.4566                 1.5643
 IR Inten    --     10.1416                 1.7040                 7.8094
 RamAct Fr= 1--    184.6089               199.2193                 6.3772
  Dep-P Fr= 1--      0.1945                 0.2886                 0.4555
  Dep-U Fr= 1--      0.3257                 0.4479                 0.6259
 Alpha2 Fr= 1--      2.5435                 2.1137                 0.0382
 Beta2  Fr= 1--     10.0215                14.8719                 0.6652
 AlphaG Fr= 1--     -0.7451                 0.1472                -0.0308
 Gamma2 Fr= 1--     -2.3673                -3.8495                 0.3044
 Delta2 Fr= 1--      1.5748                 0.7338                -0.2220
 Raman1 Fr= 1--     738.436                796.877                 25.509
 ROA1   Fr= 1--    -176.870               -346.069                 22.115
 CID1   Fr= 1--      -0.240                 -0.434                  0.867
 Raman2 Fr= 1--     120.257                178.463                  7.983
 ROA2   Fr= 1--     -69.414                -98.258                  9.081
 CID2   Fr= 1--      -0.577                 -0.551                  1.138
 Raman3 Fr= 1--     240.515                356.926                 15.966
 ROA3   Fr= 1--    -176.870               -346.069                 22.115
 CID3   Fr= 1--      -0.735                 -0.970                  1.385
 RC180  Fr= 1--      -0.349                 -0.104                  0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.11   0.01    -0.16   0.01  -0.01    -0.02  -0.00  -0.00
     2   6     0.00   0.09  -0.01     0.18  -0.03   0.02     0.01  -0.01   0.00
     3   6    -0.08  -0.03  -0.00     0.13  -0.04   0.02    -0.02  -0.01  -0.00
     4   6     0.08   0.07  -0.00     0.03   0.16  -0.01     0.03   0.01   0.00
     5   6     0.08  -0.06   0.01    -0.14  -0.03  -0.01     0.01   0.01  -0.00
     6   6    -0.08   0.01  -0.01     0.14  -0.01   0.01    -0.03  -0.00  -0.00
     7   6    -0.03   0.03  -0.01    -0.11   0.02  -0.01    -0.00   0.03  -0.00
     8   1    -0.01  -0.02  -0.00    -0.46  -0.19  -0.02     0.05   0.00   0.00
     9   1    -0.07   0.10  -0.02    -0.01  -0.20   0.02     0.05  -0.04   0.01
    10   1    -0.02   0.03  -0.01    -0.25  -0.11  -0.01     0.09   0.03   0.00
    11   6    -0.04   0.00  -0.01    -0.05  -0.03  -0.00    -0.01  -0.00  -0.00
    12   6    -0.04  -0.05  -0.10     0.01   0.00   0.01     0.00  -0.00  -0.00
    13   6     0.01  -0.00   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.16   0.01   0.04     0.36  -0.02   0.03     0.01  -0.00   0.00
    15   1     0.01   0.22   0.47    -0.01  -0.05  -0.01     0.00  -0.01  -0.03
    16   1     0.38   0.27   0.28    -0.02   0.00  -0.01    -0.02   0.07   0.00
    17   1     0.15  -0.01   0.43    -0.07   0.00  -0.02    -0.03   0.00   0.05
    18   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.01  -0.00   0.03    -0.01   0.01  -0.02    -0.00  -0.00  -0.00
    21   6     0.02   0.00   0.00     0.13   0.02   0.01     0.04  -0.04   0.01
    22   6     0.02  -0.02   0.00    -0.07  -0.16   0.01     0.01  -0.01   0.00
    23   6    -0.02  -0.02   0.00    -0.13   0.06  -0.02     0.01   0.01   0.00
    24   8    -0.01   0.01  -0.00     0.02   0.04  -0.00    -0.04  -0.01  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.02   0.00    -0.08  -0.06  -0.00
    26   1     0.22   0.09   0.01     0.19   0.10   0.00    -0.09   0.02  -0.01
    27   1    -0.00   0.04  -0.00    -0.04   0.23  -0.03    -0.14   0.15  -0.03
    28   1     0.22   0.04   0.01     0.33   0.19   0.01    -0.04  -0.01  -0.00
    29   1    -0.05  -0.01  -0.01    -0.05   0.05   0.04     0.44   0.24   0.18
    30   1    -0.05  -0.00  -0.00    -0.05   0.04  -0.05     0.48   0.20  -0.15
    31   1    -0.03  -0.05   0.00     0.01  -0.02   0.00     0.30   0.49  -0.02
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.0570              1496.0769              1497.9596
 Red. masses --      1.0536                 1.0466                 1.0531
 Frc consts  --      1.3819                 1.3801                 1.3922
 IR Inten    --      7.7115                 8.0834                 6.9190
 RamAct Fr= 1--      4.7889                10.1443                 7.1884
  Dep-P Fr= 1--      0.7500                 0.7474                 0.5721
  Dep-U Fr= 1--      0.8571                 0.8555                 0.7278
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0241
 Beta2  Fr= 1--      0.6841                 1.4463                 0.8720
 AlphaG Fr= 1--      0.0001                 0.0064                 0.0895
 Gamma2 Fr= 1--      0.8887                -0.6801                 2.5545
 Delta2 Fr= 1--     -1.0070                -0.0417                 2.1195
 Raman1 Fr= 1--      19.156                 40.577                 28.753
 ROA1   Fr= 1--      53.094                -66.622                313.056
 CID1   Fr= 1--       2.772                 -1.642                 10.888
 Raman2 Fr= 1--       8.209                 17.356                 10.464
 ROA2   Fr= 1--      29.386                -15.988                 44.353
 CID2   Fr= 1--       3.579                 -0.921                  4.239
 Raman3 Fr= 1--      16.419                 34.712                 20.927
 ROA3   Fr= 1--      53.094                -66.622                313.056
 CID3   Fr= 1--       3.234                 -1.919                 14.959
 RC180  Fr= 1--       0.714                  0.711                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     2   6     0.02   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
     5   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
     9   1     0.02  -0.02   0.00    -0.00   0.00   0.00    -0.02   0.02  -0.02
    10   1     0.03  -0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.03  -0.00   0.02
    12   6     0.02  -0.05  -0.00    -0.00  -0.00   0.00    -0.04  -0.02   0.02
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.05  -0.03  -0.06     0.00  -0.00  -0.00     0.04  -0.01  -0.04
    15   1     0.12   0.19  -0.45     0.00   0.00  -0.00     0.18   0.59  -0.06
    16   1    -0.41   0.55  -0.07    -0.00   0.00  -0.00    -0.20  -0.29  -0.18
    17   1    -0.02   0.00   0.49     0.00  -0.00   0.00     0.65  -0.03  -0.14
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    24   8     0.01   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00  -0.00
    25   6     0.01   0.00   0.00     0.01  -0.01  -0.06    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.03   0.01   0.00
    27   1    -0.01   0.01  -0.00     0.00  -0.00  -0.02     0.01   0.00   0.00
    28   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.02   0.00   0.00
    29   1    -0.05  -0.01  -0.01    -0.47   0.12   0.02     0.02   0.02   0.01
    30   1    -0.05  -0.01   0.01     0.46  -0.12   0.13     0.02   0.01  -0.01
    31   1    -0.03  -0.05   0.00    -0.06   0.07   0.71     0.01   0.02  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.3767              1525.3385              1547.6485
 Red. masses --      1.0584                 2.4131                 3.3931
 Frc consts  --      1.4151                 3.3079                 4.7884
 IR Inten    --     49.2528                22.1455                80.4512
 RamAct Fr= 1--     15.3801               119.1577                13.9793
  Dep-P Fr= 1--      0.4636                 0.2743                 0.1476
  Dep-U Fr= 1--      0.6335                 0.4305                 0.2573
 Alpha2 Fr= 1--      0.0892                 1.3179                 0.2174
 Beta2  Fr= 1--      1.6240                 8.5504                 0.5995
 AlphaG Fr= 1--      0.0070                -0.0672                -0.2031
 Gamma2 Fr= 1--      0.3664                -1.8805                -1.1868
 Delta2 Fr= 1--      0.4099                 0.8490                 0.4092
 Raman1 Fr= 1--      61.521                476.631                 55.917
 ROA1   Fr= 1--      48.289               -153.362               -100.840
 CID1   Fr= 1--       0.785                 -0.322                 -1.803
 Raman2 Fr= 1--      19.488                102.604                  7.193
 ROA2   Fr= 1--       5.513                -51.925                -31.758
 CID2   Fr= 1--       0.283                 -0.506                 -4.415
 Raman3 Fr= 1--      38.976                205.208                 14.387
 ROA3   Fr= 1--      48.289               -153.362               -100.840
 CID3   Fr= 1--       1.239                 -0.747                 -7.009
 RC180  Fr= 1--       0.267                 -0.139                 -0.485
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.15  -0.03  -0.01
     2   6     0.00   0.00  -0.00     0.14   0.02   0.01    -0.11  -0.04  -0.00
     3   6    -0.00  -0.00  -0.00    -0.08  -0.03  -0.00     0.02  -0.07   0.01
     4   6     0.01  -0.01   0.00     0.13  -0.05   0.02     0.03   0.17  -0.02
     5   6    -0.00   0.01  -0.00    -0.05   0.12  -0.02     0.03  -0.13   0.02
     6   6    -0.01  -0.01  -0.00    -0.13  -0.07  -0.00     0.08   0.08  -0.00
     7   6     0.01  -0.00   0.00     0.07   0.04   0.00     0.16   0.10   0.00
     8   1     0.02   0.00   0.00     0.25   0.04   0.02    -0.11  -0.11   0.00
     9   1     0.03  -0.02   0.01     0.37  -0.32   0.07    -0.21   0.13  -0.03
    10   1     0.04   0.00   0.00     0.45   0.05   0.03    -0.27   0.00  -0.02
    11   6    -0.00   0.00  -0.00    -0.03   0.01  -0.01    -0.02  -0.02   0.00
    12   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.03   0.02   0.01     0.19  -0.01   0.00
    15   1    -0.00  -0.01   0.02    -0.01   0.02   0.10     0.01   0.02  -0.02
    16   1     0.01  -0.02   0.00     0.07  -0.11   0.01    -0.03   0.01  -0.01
    17   1    -0.00  -0.00  -0.01     0.04  -0.00  -0.09     0.02   0.00   0.02
    18   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00   0.00  -0.01
    21   6    -0.00  -0.00   0.00     0.04  -0.06   0.01     0.03  -0.16   0.02
    22   6    -0.02   0.01  -0.00    -0.14  -0.01  -0.01    -0.07   0.17  -0.02
    23   6     0.01   0.00   0.00     0.03   0.05  -0.00     0.10  -0.04   0.01
    24   8     0.02  -0.01   0.00     0.05   0.01   0.00     0.03  -0.02   0.00
    25   6     0.03  -0.04   0.01     0.02   0.02  -0.00     0.01   0.02  -0.00
    26   1    -0.01  -0.01  -0.00    -0.25  -0.03  -0.02    -0.49  -0.04  -0.04
    27   1     0.01  -0.01   0.00    -0.24   0.24  -0.05    -0.37   0.24  -0.06
    28   1    -0.04  -0.01  -0.00    -0.13   0.02  -0.01    -0.29  -0.13  -0.01
    29   1    -0.18   0.54   0.30    -0.12  -0.17  -0.11    -0.08  -0.06  -0.05
    30   1    -0.11   0.46  -0.43    -0.14  -0.15   0.12    -0.09  -0.05   0.05
    31   1    -0.19  -0.34   0.02    -0.06  -0.11   0.01    -0.08  -0.12   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1608.9863              1653.8932              1676.7377
 Red. masses --      6.8811                 5.7627                 6.3546
 Frc consts  --     10.4958                 9.2874                10.5261
 IR Inten    --      7.1814               114.6351                58.0228
 RamAct Fr= 1--     74.7064                 2.4256               311.0529
  Dep-P Fr= 1--      0.5160                 0.7174                 0.3692
  Dep-U Fr= 1--      0.6808                 0.8355                 0.5393
 Alpha2 Fr= 1--      0.3416                 0.0014                 2.5632
 Beta2  Fr= 1--      8.4761                 0.3378                27.9581
 AlphaG Fr= 1--     -0.3094                 0.0070                -0.9098
 Gamma2 Fr= 1--      0.6402                 1.2041                -5.6151
 Delta2 Fr= 1--      0.8923                 2.1296                 1.0132
 Raman1 Fr= 1--     298.826                  9.702               1244.211
 ROA1   Fr= 1--      90.016                183.741               -506.628
 CID1   Fr= 1--       0.301                 18.938                 -0.407
 Raman2 Fr= 1--     101.713                  4.053                335.497
 ROA2   Fr= 1--       8.228                 11.862               -142.868
 CID2   Fr= 1--       0.081                  2.927                 -0.426
 Raman3 Fr= 1--     203.426                  8.106                670.995
 ROA3   Fr= 1--      90.016                183.741               -506.628
 CID3   Fr= 1--       0.443                 22.667                 -0.755
 RC180  Fr= 1--       0.362                  0.671                  0.079
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.28  -0.03    -0.00   0.04  -0.00     0.26   0.05   0.02
     2   6     0.05  -0.28   0.03    -0.03  -0.01  -0.00    -0.25  -0.03  -0.02
     3   6    -0.14  -0.16   0.01     0.21   0.08   0.01    -0.24  -0.07  -0.01
     4   6     0.09   0.22  -0.02    -0.21  -0.07  -0.01     0.16   0.07   0.01
     5   6     0.15  -0.17   0.03     0.22  -0.09   0.03    -0.17   0.06  -0.02
     6   6    -0.13   0.10  -0.02    -0.22   0.03  -0.02     0.24   0.01   0.02
     7   6     0.12  -0.12   0.02    -0.22   0.00  -0.02    -0.24  -0.03  -0.02
     8   1     0.33  -0.05   0.03    -0.29  -0.01  -0.02     0.34   0.05   0.02
     9   1    -0.15   0.17  -0.03    -0.16   0.34  -0.05     0.09  -0.23   0.03
    10   1     0.16   0.18  -0.01     0.18   0.14  -0.00    -0.28  -0.12  -0.01
    11   6    -0.03  -0.02  -0.00     0.04   0.01   0.00    -0.02  -0.01  -0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.00
    14   1     0.16  -0.01   0.00    -0.09   0.00  -0.01     0.06  -0.01   0.01
    15   1     0.00   0.02  -0.01    -0.00  -0.01  -0.02    -0.00   0.01   0.01
    16   1    -0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.01  -0.00   0.00
    17   1     0.02   0.00   0.01    -0.01   0.00   0.00     0.01  -0.00   0.00
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00  -0.00  -0.01     0.01   0.00   0.02    -0.01  -0.01  -0.03
    21   6    -0.17   0.21  -0.04     0.20  -0.06   0.02     0.15  -0.03   0.02
    22   6    -0.04  -0.24   0.02    -0.22  -0.11  -0.01    -0.14  -0.08  -0.00
    23   6     0.07   0.15  -0.01     0.23   0.10   0.01     0.23   0.06   0.01
    24   8    -0.00   0.02  -0.00     0.03   0.01   0.00     0.00   0.01  -0.00
    25   6     0.01  -0.01   0.00     0.02   0.00   0.00     0.02   0.00   0.00
    26   1    -0.11  -0.18   0.01     0.21   0.11   0.01     0.30   0.09   0.01
    27   1     0.24  -0.23   0.04    -0.12   0.30  -0.04    -0.04   0.18  -0.02
    28   1    -0.21   0.09  -0.03    -0.32  -0.02  -0.02    -0.30  -0.06  -0.02
    29   1    -0.01   0.01   0.01    -0.06  -0.05  -0.04    -0.05  -0.04  -0.03
    30   1    -0.00   0.01  -0.02    -0.07  -0.05   0.04    -0.05  -0.03   0.03
    31   1     0.04   0.03   0.00     0.00  -0.03   0.00     0.00  -0.02   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0761              3010.6353              3015.2783
 Red. masses --     10.3642                 1.0347                 1.0817
 Frc consts  --     20.6307                 5.5256                 5.7943
 IR Inten    --    430.3463                65.9884                 9.8324
 RamAct Fr= 1--     31.4338               233.4252                65.2033
  Dep-P Fr= 1--      0.2914                 0.0422                 0.1359
  Dep-U Fr= 1--      0.4513                 0.0810                 0.2393
 Alpha2 Fr= 1--      0.3308                 4.6971                 1.0444
 Beta2  Fr= 1--      2.3641                 3.1510                 2.6010
 AlphaG Fr= 1--     -0.9258                -0.2351                 0.2777
 Gamma2 Fr= 1--     -4.8756                -0.5248                -0.3646
 Delta2 Fr= 1--     -0.5595                 0.3121                 0.1223
 Raman1 Fr= 1--     125.735                933.701                260.813
 ROA1   Fr= 1--    -485.962                -40.394                -31.086
 CID1   Fr= 1--      -3.865                 -0.043                 -0.119
 Raman2 Fr= 1--      28.370                 37.812                 31.212
 ROA2   Fr= 1--    -112.539                -15.092                 -9.728
 CID2   Fr= 1--      -3.967                 -0.399                 -0.312
 Raman3 Fr= 1--      56.739                 75.624                 62.425
 ROA3   Fr= 1--    -485.962                -40.394                -31.086
 CID3   Fr= 1--      -8.565                 -0.534                 -0.498
 RC180  Fr= 1--      -0.097                 -0.838                 -0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     9   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.08   0.01
    12   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    13   6     0.70   0.23  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.03   0.01   0.06    -0.00   0.02  -0.00    -0.01   0.99  -0.10
    15   1     0.03   0.02  -0.05    -0.00   0.00  -0.00     0.02  -0.00  -0.00
    16   1    -0.08  -0.05  -0.07     0.00   0.00  -0.00    -0.02  -0.01   0.02
    17   1     0.02   0.01  -0.04    -0.00  -0.00   0.00     0.00  -0.08   0.01
    18   8    -0.44  -0.14   0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.06  -0.05  -0.44     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01   0.05  -0.00    -0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.03  -0.32   0.60     0.00   0.01  -0.01
    30   1     0.00   0.00  -0.00     0.06  -0.43  -0.51    -0.00   0.01   0.01
    31   1    -0.00  -0.00  -0.00    -0.24   0.16  -0.04     0.00  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.3508              3067.6207              3117.4061
 Red. masses --      1.0350                 1.1060                 1.1025
 Frc consts  --      5.6852                 6.1320                 6.3128
 IR Inten    --     16.6128                34.6576                15.5347
 RamAct Fr= 1--    179.7255                67.5251                33.2105
  Dep-P Fr= 1--      0.0240                 0.7499                 0.7444
  Dep-U Fr= 1--      0.0469                 0.8571                 0.8535
 Alpha2 Fr= 1--      3.7754                 0.0001                 0.0032
 Beta2  Fr= 1--      1.4045                 9.6457                 4.7239
 AlphaG Fr= 1--      0.2193                -0.0349                 0.0132
 Gamma2 Fr= 1--      1.4012                -0.8736                -1.9029
 Delta2 Fr= 1--      3.4331                -0.7799                 2.2174
 Raman1 Fr= 1--     718.902                270.100                132.842
 ROA1   Fr= 1--     244.374               -108.826               -111.721
 CID1   Fr= 1--       0.340                 -0.403                 -0.841
 Raman2 Fr= 1--      16.854                115.748                 56.687
 ROA2   Fr= 1--       6.164                -14.728                -63.408
 CID2   Fr= 1--       0.366                 -0.127                 -1.119
 Raman3 Fr= 1--      33.709                231.496                113.374
 ROA3   Fr= 1--     244.374               -108.826               -111.721
 CID3   Fr= 1--       7.250                 -0.470                 -0.985
 RC180  Fr= 1--      -0.906                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
     9   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.03   0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00    -0.03  -0.07   0.05
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.08  -0.01
    15   1     0.45  -0.16   0.03     0.00  -0.00   0.00    -0.01  -0.02   0.01
    16   1    -0.33  -0.18   0.53    -0.00  -0.00   0.00     0.34   0.17  -0.55
    17   1     0.01   0.59  -0.05     0.00   0.00  -0.00     0.00   0.73  -0.04
    18   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.01  -0.09    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.35   0.61     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.07   0.47   0.52     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00  -0.02    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.2042              3137.6458              3153.2692
 Red. masses --      1.1020                 1.0990                 1.0896
 Frc consts  --      6.3697                 6.3744                 6.3832
 IR Inten    --     16.3975                22.9521                10.0941
 RamAct Fr= 1--    152.9658               168.1941                54.7701
  Dep-P Fr= 1--      0.4955                 0.4262                 0.2616
  Dep-U Fr= 1--      0.6627                 0.5977                 0.4147
 Alpha2 Fr= 1--      0.7712                 1.1313                 0.6282
 Beta2  Fr= 1--     16.8948                16.7554                 3.7857
 AlphaG Fr= 1--      0.0393                 0.0454                 0.0869
 Gamma2 Fr= 1--      0.0767                -0.1565                 1.0420
 Delta2 Fr= 1--     -6.8616                 0.3854                -0.4786
 Raman1 Fr= 1--     611.863                672.777                219.080
 ROA1   Fr= 1--    -212.204                 -2.692                 84.717
 CID1   Fr= 1--      -0.347                 -0.004                  0.387
 Raman2 Fr= 1--     202.737                201.065                 45.428
 ROA2   Fr= 1--      56.734                 -6.840                 28.837
 CID2   Fr= 1--       0.280                 -0.034                  0.635
 Raman3 Fr= 1--     405.475                402.129                 90.856
 ROA3   Fr= 1--    -212.204                 -2.692                 84.717
 CID3   Fr= 1--      -0.523                 -0.007                  0.932
 RC180  Fr= 1--       0.325                  0.195                 -0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.08   0.01
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.21   0.96  -0.13
     9   1     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.03  -0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.08   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.00  -0.03   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    15   1     0.83  -0.28   0.06    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    16   1     0.17   0.10  -0.29    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.02  -0.31   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.07   0.06  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.09   0.01
    27   1     0.00   0.00  -0.00     0.02   0.02  -0.00     0.01   0.01  -0.00
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00   0.00    -0.02  -0.08   0.17     0.00   0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.01  -0.11  -0.15    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.79  -0.53   0.12     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3168.1672              3171.5869              3184.7926
 Red. masses --      1.0863                 1.0891                 1.0946
 Frc consts  --      6.4244                 6.4544                 6.5415
 IR Inten    --      2.6340                 9.2922                 8.8359
 RamAct Fr= 1--     49.8213                77.9256                97.8698
  Dep-P Fr= 1--      0.7487                 0.3941                 0.2146
  Dep-U Fr= 1--      0.8563                 0.5654                 0.3533
 Alpha2 Fr= 1--      0.0011                 0.5894                 1.2783
 Beta2  Fr= 1--      7.1102                 7.3435                 5.7635
 AlphaG Fr= 1--     -0.0066                -0.0385                -0.2145
 Gamma2 Fr= 1--      0.5303                -1.0057                 1.0148
 Delta2 Fr= 1--     -0.6294                -0.1036                 1.7645
 Raman1 Fr= 1--     199.285                311.703                391.479
 ROA1   Fr= 1--      30.768                -99.867                153.884
 CID1   Fr= 1--       0.154                 -0.320                  0.393
 Raman2 Fr= 1--      85.323                 88.122                 69.162
 ROA2   Fr= 1--      17.762                -23.309                 10.240
 CID2   Fr= 1--       0.208                 -0.265                  0.148
 Raman3 Fr= 1--     170.646                176.244                138.324
 ROA3   Fr= 1--      30.768                -99.867                153.884
 CID3   Fr= 1--       0.180                 -0.567                  1.112
 RC180  Fr= 1--       0.713                  0.131                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.04   0.04  -0.00    -0.00  -0.00  -0.00    -0.05  -0.04   0.00
     6   6     0.01  -0.06   0.01     0.00   0.00  -0.00     0.02  -0.06   0.01
     7   6     0.00  -0.00   0.00     0.02  -0.08   0.01     0.00  -0.00   0.00
     8   1     0.00  -0.02   0.00    -0.02   0.09  -0.01     0.00  -0.02   0.00
     9   1    -0.50  -0.47   0.01     0.01   0.01  -0.00     0.51   0.47  -0.01
    10   1    -0.15   0.70  -0.09     0.00  -0.01   0.00    -0.14   0.63  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.01
    17   1    -0.00  -0.04   0.00     0.00   0.00  -0.00     0.00   0.03  -0.00
    18   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.01   0.02  -0.00    -0.21   0.94  -0.12    -0.00   0.01  -0.00
    27   1    -0.00  -0.00   0.00    -0.13  -0.13   0.00     0.00   0.00  -0.00
    28   1     0.01  -0.05   0.01    -0.01   0.05  -0.01     0.06  -0.28   0.03
    29   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.9315              3215.8617              3706.0682
 Red. masses --      1.0906                 1.0912                 1.0652
 Frc consts  --      6.5346                 6.6488                 8.6202
 IR Inten    --      6.1071                 6.8297               137.0503
 RamAct Fr= 1--    162.5396               130.4430               153.5760
  Dep-P Fr= 1--      0.2067                 0.2423                 0.2367
  Dep-U Fr= 1--      0.3426                 0.3901                 0.3828
 Alpha2 Fr= 1--      2.1683                 1.5794                 1.8886
 Beta2  Fr= 1--      9.2808                 8.4816                 9.7987
 AlphaG Fr= 1--     -0.0093                -0.0883                -3.3079
 Gamma2 Fr= 1--      0.4162                -0.9783               -32.6144
 Delta2 Fr= 1--      0.6881                -0.4426                -4.5757
 Raman1 Fr= 1--     650.158                521.772                614.304
 ROA1   Fr= 1--      61.970               -108.078              -3277.408
 CID1   Fr= 1--       0.095                 -0.207                 -5.335
 Raman2 Fr= 1--     111.370                101.779                117.585
 ROA2   Fr= 1--       4.483                -19.938               -746.141
 CID2   Fr= 1--       0.040                 -0.196                 -6.346
 Raman3 Fr= 1--     222.739                203.558                235.170
 ROA3   Fr= 1--      61.970               -108.078              -3277.408
 CID3   Fr= 1--       0.278                 -0.531                -13.936
 RC180  Fr= 1--      -0.315                 -0.220                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.00   0.00   0.00
     8   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
     9   1     0.12   0.11  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.05   0.23  -0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    17   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.01   0.01
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.96   0.21  -0.16
    21   6    -0.00   0.00  -0.00    -0.06  -0.06   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23   6     0.02  -0.08   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01  -0.05   0.01    -0.04   0.18  -0.02    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.71   0.67  -0.01     0.00   0.00   0.00
    28   1    -0.22   0.92  -0.12    -0.00   0.01  -0.00     0.00  -0.00   0.00
    29   1     0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00   0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00   0.01   0.02     0.00   0.00   0.00
    31   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1185.959109179.664469369.68965
           X            0.99992   0.00546   0.01120
           Y           -0.00526   0.99984  -0.01704
           Z           -0.01129   0.01698   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.07303     0.00944     0.00924
 Rotational constants (GHZ):           1.52176     0.19660     0.19261
 Zero-point vibrational energy     657707.9 (Joules/Mol)
                                  157.19597 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.84    60.54    72.38   107.20   179.97
          (Kelvin)            201.53   263.24   298.08   302.44   337.36
                              350.93   399.18   443.07   500.58   571.37
                              600.96   653.72   699.32   711.20   737.14
                              774.84   816.67   841.61   862.92   916.71
                              985.39  1003.11  1076.12  1120.80  1137.42
                             1167.55  1179.46  1199.07  1235.93  1292.72
                             1310.10  1349.19  1364.40  1407.58  1411.96
                             1454.92  1539.21  1565.82  1588.22  1677.56
                             1687.03  1693.91  1704.81  1710.79  1727.67
                             1746.63  1841.80  1847.69  1865.01  1880.13
                             1885.36  1928.73  1989.95  2017.46  2037.56
                             2043.35  2096.04  2129.49  2146.74  2152.52
                             2155.23  2167.34  2194.62  2226.72  2314.97
                             2379.58  2412.45  2644.58  4331.63  4338.31
                             4393.09  4413.62  4485.25  4506.54  4514.37
                             4536.85  4558.29  4563.21  4582.21  4588.16
                             4626.91  5332.21
 
 Zero-point correction=                           0.250508 (Hartree/Particle)
 Thermal correction to Energy=                    0.265772
 Thermal correction to Enthalpy=                  0.266717
 Thermal correction to Gibbs Free Energy=         0.206904
 Sum of electronic and zero-point Energies=           -767.720606
 Sum of electronic and thermal Energies=              -767.705341
 Sum of electronic and thermal Enthalpies=            -767.704397
 Sum of electronic and thermal Free Energies=         -767.764209
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.775             58.746            125.886
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             32.989
 Vibrational            164.997             52.785             50.695
 Vibration     1          0.593              1.984              5.988
 Vibration     2          0.595              1.980              5.159
 Vibration     3          0.595              1.977              4.805
 Vibration     4          0.599              1.966              4.030
 Vibration     5          0.610              1.928              3.020
 Vibration     6          0.615              1.913              2.803
 Vibration     7          0.630              1.863              2.298
 Vibration     8          0.641              1.830              2.068
 Vibration     9          0.642              1.825              2.042
 Vibration    10          0.654              1.788              1.844
 Vibration    11          0.659              1.773              1.774
 Vibration    12          0.678              1.715              1.549
 Vibration    13          0.698              1.659              1.373
 Vibration    14          0.726              1.579              1.176
 Vibration    15          0.764              1.476              0.973
 Vibration    16          0.781              1.432              0.900
 Vibration    17          0.813              1.351              0.783
 Vibration    18          0.842              1.281              0.694
 Vibration    19          0.850              1.263              0.672
 Vibration    20          0.867              1.223              0.628
 Vibration    21          0.894              1.165              0.568
 Vibration    22          0.924              1.101              0.509
 Vibration    23          0.942              1.064              0.476
 Vibration    24          0.958              1.032              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.677139D-95        -95.169322       -219.135462
 Total V=0       0.113797D+21         20.056130         46.180945
 Vib (Bot)       0.136524-109       -109.864791       -252.973030
 Vib (Bot)    1  0.747798D+01          0.873784          2.011963
 Vib (Bot)    2  0.491640D+01          0.691648          1.592577
 Vib (Bot)    3  0.410895D+01          0.613730          1.413167
 Vib (Bot)    4  0.276620D+01          0.441884          1.017475
 Vib (Bot)    5  0.163177D+01          0.212660          0.489667
 Vib (Bot)    6  0.145167D+01          0.161867          0.372711
 Vib (Bot)    7  0.109665D+01          0.040070          0.092264
 Vib (Bot)    8  0.959754D+00         -0.017840         -0.041079
 Vib (Bot)    9  0.944777D+00         -0.024671         -0.056806
 Vib (Bot)   10  0.838335D+00         -0.076582         -0.176338
 Vib (Bot)   11  0.802470D+00         -0.095571         -0.220061
 Vib (Bot)   12  0.693899D+00         -0.158704         -0.365430
 Vib (Bot)   13  0.614771D+00         -0.211287         -0.486505
 Vib (Bot)   14  0.531006D+00         -0.274901         -0.632982
 Vib (Bot)   15  0.449761D+00         -0.347018         -0.799039
 Vib (Bot)   16  0.421126D+00         -0.375588         -0.864822
 Vib (Bot)   17  0.376090D+00         -0.424709         -0.977928
 Vib (Bot)   18  0.342301D+00         -0.465591         -1.072063
 Vib (Bot)   19  0.334163D+00         -0.476042         -1.096127
 Vib (Bot)   20  0.317258D+00         -0.498588         -1.148041
 Vib (Bot)   21  0.294600D+00         -0.530767         -1.222135
 Vib (Bot)   22  0.271782D+00         -0.565779         -1.302754
 Vib (Bot)   23  0.259215D+00         -0.586341         -1.350099
 Vib (Bot)   24  0.249026D+00         -0.603756         -1.390198
 Vib (V=0)       0.229435D+06          5.360661         12.343377
 Vib (V=0)    1  0.799468D+01          0.902801          2.078776
 Vib (V=0)    2  0.544176D+01          0.735740          1.694103
 Vib (V=0)    3  0.463926D+01          0.666448          1.534554
 Vib (V=0)    4  0.331103D+01          0.519963          1.197258
 Vib (V=0)    5  0.220666D+01          0.343735          0.791479
 Vib (V=0)    6  0.203536D+01          0.308641          0.710673
 Vib (V=0)    7  0.170526D+01          0.231790          0.533717
 Vib (V=0)    8  0.158219D+01          0.199258          0.458808
 Vib (V=0)    9  0.156893D+01          0.195603          0.450392
 Vib (V=0)   10  0.147612D+01          0.169121          0.389415
 Vib (V=0)   11  0.144549D+01          0.160016          0.368451
 Vib (V=0)   12  0.135527D+01          0.132027          0.304004
 Vib (V=0)   13  0.129243D+01          0.111407          0.256523
 Vib (V=0)   14  0.122936D+01          0.089679          0.206494
 Vib (V=0)   15  0.117252D+01          0.069121          0.159156
 Vib (V=0)   16  0.115372D+01          0.062100          0.142990
 Vib (V=0)   17  0.112565D+01          0.051405          0.118365
 Vib (V=0)   18  0.110595D+01          0.043734          0.100701
 Vib (V=0)   19  0.110139D+01          0.041939          0.096569
 Vib (V=0)   20  0.109216D+01          0.038286          0.088157
 Vib (V=0)   21  0.108034D+01          0.033559          0.077272
 Vib (V=0)   22  0.106909D+01          0.029015          0.066810
 Vib (V=0)   23  0.106320D+01          0.026614          0.061282
 Vib (V=0)   24  0.105858D+01          0.024725          0.056930
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.361540D+07          6.558156         15.100713
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3          3333333333333                              111111111111111111111111111111111                                        
      7          2111111110000                              866655544444444333322222111111000999998888877766665555444433322222111    
      0          1887653316511                              3750420999852108410988108877608718743195321974983086319851940743108427542
      6          6952838278351                              8749856862070623107640419573648011888189301198757058924648788744073055028
 
      X          XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
      X                   X  X                              XXX X X         XXX  X  XXX    X                  X                      
      X                      X                              XXX X           XXX       X    X                  X                      
      X                                                     X X X           XXX                                                      
      X                                                     X X             XXX                                                      
      X                                                     X               XXX                                                      
                                                            X                XX                                                      
                                                            X                XX                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000357    0.000002268   -0.000000024
      2        6           0.000000958    0.000000033   -0.000000179
      3        6           0.000000743    0.000001229    0.000000793
      4        6          -0.000000182   -0.000006096    0.000001894
      5        6           0.000000037    0.000003236   -0.000000659
      6        6           0.000001150    0.000000128   -0.000000464
      7        6          -0.000001118   -0.000000544    0.000001368
      8        1          -0.000000469   -0.000000381    0.000000168
      9        1           0.000000477   -0.000001067    0.000000353
     10        1           0.000000568   -0.000000993   -0.000000839
     11        6          -0.000002177    0.000000170   -0.000010608
     12        6          -0.000002074    0.000002703    0.000003927
     13        6           0.000004692    0.000001380    0.000016910
     14        1           0.000001650   -0.000001079    0.000001084
     15        1          -0.000000011   -0.000001231    0.000001029
     16        1           0.000000156   -0.000000097   -0.000000240
     17        1           0.000001312   -0.000000156   -0.000000323
     18        8          -0.000004776   -0.000003094   -0.000001512
     19        8          -0.000002928   -0.000003063   -0.000009739
     20        1           0.000001096    0.000000087    0.000001754
     21        6           0.000001706   -0.000000947    0.000000705
     22        6          -0.000001250    0.000001189   -0.000002346
     23        6           0.000000458   -0.000000928   -0.000000303
     24        8           0.000002398    0.000002614    0.000001941
     25        6          -0.000004462   -0.000001212   -0.000001627
     26        1           0.000000005    0.000000584   -0.000000195
     27        1           0.000001585    0.000001369   -0.000000246
     28        1           0.000000682   -0.000000217   -0.000000979
     29        1          -0.000000366    0.000001878   -0.000000565
     30        1           0.000000161    0.000001186   -0.000000153
     31        1           0.000000339    0.000001054   -0.000000924
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016910 RMS     0.000002846
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307086D+03  0.145525D+02  0.116369D+02
      2   0.145525D+02  0.166637D+03 -0.382515D+01
      3   0.116369D+02 -0.382515D+01  0.118850D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.815163D+01  0.266792D+02  0.662331D+01
      2  -0.465750D+02  0.992544D+01  0.269883D+02
      3   0.883999D+01  0.575841D+02 -0.706480D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.339552D+03 -0.938730D+01 -0.467594D+02
      2   0.137646D+03  0.150559D+02 -0.554543D+01
      3   0.201905D+03 -0.566855D+01  0.523048D+02
      4  -0.163800D+02 -0.140932D+03  0.221137D+02
      5   0.299389D+02  0.207280D+02  0.645744D+02
      6   0.543237D+01  0.446142D+02 -0.235422D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.388013D+02  0.814390D+01  0.143163D+01 -0.487267D+02 -0.479907D+01
      2   0.814390D+01  0.357550D+01  0.282962D+00 -0.479907D+01 -0.531362D+01
      3   0.143163D+01  0.282962D+00 -0.433357D+00 -0.274691D+01  0.120231D+00
                 6             7             8             9            10 
      1  -0.274691D+01  0.774767D+01  0.125672D+01  0.179853D+01 -0.298217D+02
      2   0.120231D+00  0.125672D+01  0.649383D+00 -0.904119D+00 -0.626127D+01
      3  -0.208042D+00  0.179853D+01 -0.904119D+00  0.402976D+00 -0.967942D+00
                11            12            13            14            15 
      1  -0.626127D+01 -0.967942D+00  0.525335D+02  0.589955D+01  0.307476D+01
      2  -0.666220D+00 -0.291383D+00  0.589955D+01  0.624131D+01 -0.451363D-01
      3  -0.291383D+00 -0.224242D+00  0.307476D+01 -0.451363D-01  0.761487D-01
                16            17            18            19            20 
      1  -0.786738D+01 -0.122328D+01 -0.973984D+00 -0.518478D+02 -0.101971D+02
      2  -0.122328D+01 -0.563156D+00  0.858891D+00 -0.101971D+02 -0.968474D+01
      3  -0.973984D+00  0.858891D+00 -0.188365D+00 -0.135814D+01  0.398356D+00
                21            22            23            24            25 
      1  -0.135814D+01 -0.153481D+02 -0.176749D+01  0.202765D+00 -0.235967D+01
      2   0.398356D+00 -0.176749D+01 -0.483706D+01 -0.521783D+00  0.283880D+00
      3  -0.599360D+00  0.202765D+00 -0.521783D+00 -0.200321D+01  0.524233D+00
                26            27            28            29            30 
      1   0.283880D+00  0.524233D+00  0.498105D+02  0.404935D+01  0.115214D+01
      2  -0.123382D+01 -0.393915D+01  0.404935D+01  0.604704D+01  0.317825D-02
      3  -0.393915D+01  0.114808D+01  0.115214D+01  0.317825D-02  0.222219D+01
                31            32            33            34            35 
      1   0.207808D+01  0.348826D+01  0.585733D+00  0.201090D+00  0.733988D+00
      2   0.348826D+01  0.148535D+02 -0.766812D+00  0.733988D+00 -0.287080D+00
      3   0.585733D+00 -0.766812D+00  0.419247D+00  0.652891D+01  0.790144D+00
                36            37            38            39            40 
      1   0.652891D+01  0.934277D+01 -0.156951D+01  0.526488D+00  0.884790D+01
      2   0.790144D+00 -0.156951D+01  0.121342D+02 -0.105177D+01  0.125091D+01
      3   0.758855D+00  0.526488D+00 -0.105177D+01  0.181157D+01  0.419288D+00
                41            42            43            44            45 
      1   0.125091D+01  0.419288D+00  0.878839D-02  0.162405D+00  0.473138D+01
      2  -0.929539D+01  0.121902D+01  0.162405D+00  0.243653D+01  0.159892D+01
      3   0.121902D+01  0.958744D+00  0.473138D+01  0.159892D+01  0.701266D+00
                46            47            48            49            50 
      1  -0.131537D+02  0.273378D+01 -0.146058D+01  0.126266D+01  0.230357D+01
      2   0.273378D+01 -0.870508D+01  0.310677D+00  0.230357D+01  0.887537D+00
      3  -0.146058D+01  0.310677D+00 -0.105344D+01 -0.316143D+00  0.782667D+00
                51            52            53            54            55 
      1  -0.316143D+00 -0.111241D+01 -0.646332D+00 -0.103095D+01  0.339228D+01
      2   0.782667D+00 -0.646332D+00  0.174959D+00  0.440945D+01 -0.374693D+01
      3   0.134629D+01 -0.103095D+01  0.440945D+01 -0.123486D+01  0.675602D+00
                56            57            58            59            60 
      1  -0.374693D+01  0.675602D+00 -0.294045D+01 -0.376481D+01  0.371957D+00
      2   0.617473D+01 -0.548277D+00 -0.376481D+01 -0.243270D+01 -0.630812D+00
      3  -0.548277D+00  0.155273D+01  0.371957D+00 -0.630812D+00 -0.129003D+01
                61            62            63            64            65 
      1   0.672989D+00  0.456996D+00 -0.833072D-01  0.461708D+00 -0.195391D+01
      2   0.456996D+00 -0.161912D+00 -0.425951D+01 -0.195391D+01  0.101866D+01
      3  -0.833072D-01 -0.425951D+01  0.125573D+01  0.273299D+00 -0.266897D+00
                66            67            68            69            70 
      1   0.273299D+00 -0.208006D+01  0.250825D+01 -0.446484D+00  0.428914D+00
      2  -0.266897D+00  0.250825D+01 -0.756974D+01  0.107775D+01 -0.509816D+00
      3   0.150850D+00 -0.446484D+00  0.107775D+01 -0.973668D+00  0.177136D-01
                71            72            73            74            75 
      1  -0.509816D+00  0.177136D-01  0.656005D+01  0.315685D+01  0.132229D+00
      2   0.101493D+01 -0.191720D+00  0.315685D+01  0.272956D+01 -0.177503D-03
      3  -0.191720D+00  0.202001D+00  0.132229D+00 -0.177503D-03  0.547568D+00
                76            77            78            79            80 
      1   0.441602D+01  0.396054D+01 -0.405638D-01 -0.793063D-01 -0.319359D+00
      2   0.396054D+01  0.409952D+01 -0.103200D-01 -0.319359D+00 -0.270860D+00
      3  -0.405638D-01 -0.103200D-01  0.662301D+00 -0.456430D+00  0.280238D+00
                81            82            83            84            85 
      1  -0.456430D+00 -0.692670D+00  0.137007D+01 -0.207055D+00  0.611908D+00
      2   0.280238D+00  0.137007D+01 -0.149717D+01  0.238085D+00 -0.636508D+00
      3  -0.212832D+00 -0.207055D+00  0.238085D+00 -0.159332D+00  0.465868D-01
                86            87            88            89            90 
      1  -0.636508D+00  0.465868D-01 -0.237429D+00  0.219889D+00  0.125328D+00
      2   0.105361D+02 -0.101597D+01  0.219889D+00 -0.127878D+01  0.252289D+00
      3  -0.101597D+01  0.103726D+01  0.125328D+00  0.252289D+00 -0.142005D+00
                91            92            93            94            95 
      1  -0.165487D+02 -0.172166D+01  0.558053D-01 -0.621632D+00 -0.188011D+00
      2  -0.172166D+01  0.335641D+00 -0.576706D+00 -0.188011D+00  0.479586D+01
      3   0.558053D-01 -0.576706D+00 -0.323954D+01 -0.197388D+01 -0.823721D+00
                96            97            98            99           100 
      1  -0.197388D+01  0.559106D+00 -0.143835D+01 -0.742816D+01 -0.549896D+01
      2  -0.823721D+00 -0.143835D+01 -0.548417D+00 -0.881266D+00  0.265075D+01
      3  -0.737321D+00 -0.742816D+01 -0.881266D+00  0.282652D+00 -0.145137D+01
               101           102           103           104           105 
      1   0.265075D+01 -0.145137D+01  0.693068D+01 -0.140181D+00  0.158020D+01
      2  -0.497925D+00  0.264522D+00 -0.140181D+00 -0.463774D+01 -0.554772D-01
      3   0.264522D+00  0.360062D+01  0.158020D+01 -0.554772D-01  0.244260D+01
               106           107           108           109           110 
      1   0.401936D+01  0.101217D+01  0.530098D+01 -0.757605D+01 -0.160790D+01
      2   0.101217D+01  0.505390D+00  0.189317D+01 -0.160790D+01 -0.458686D+00
      3   0.530098D+01  0.189317D+01 -0.452999D+00  0.376297D+00  0.487153D+00
               111           112           113           114           115 
      1   0.376297D+00 -0.208578D+01 -0.256894D+00  0.123892D+01 -0.714371D+01
      2   0.487153D+00 -0.256894D+00 -0.100919D+01 -0.985139D-01  0.551817D+00
      3   0.976040D+00  0.123892D+01 -0.985139D-01  0.445068D+00  0.413815D+01
               116           117           118           119           120 
      1   0.551817D+00  0.413815D+01 -0.155747D+01 -0.101377D+01  0.934314D-01
      2  -0.662685D+00  0.306601D+00 -0.101377D+01  0.395055D+00 -0.303470D-01
      3   0.306601D+00 -0.556932D+00  0.934314D-01 -0.303470D-01  0.709137D+00
               121           122           123           124           125 
      1  -0.282517D+01  0.167844D+01 -0.542900D-01 -0.197699D+00 -0.886589D-01
      2   0.167844D+01 -0.645671D+01  0.820929D+00 -0.886589D-01  0.666508D+00
      3  -0.542900D-01  0.820929D+00 -0.158448D+01  0.111493D+01 -0.948069D+00
               126           127           128           129           130 
      1   0.111493D+01  0.139423D+02 -0.157961D+01  0.334724D+01 -0.363972D+01
      2  -0.948069D+00 -0.157961D+01  0.128983D+01 -0.254403D+00  0.159714D+01
      3   0.703777D+00  0.334724D+01 -0.254403D+00  0.213809D+01 -0.112996D+01
               131           132           133           134           135 
      1   0.159714D+01 -0.112996D+01  0.135666D+01 -0.324053D+00  0.118135D+01
      2  -0.490703D+00  0.394697D+00 -0.324053D+00 -0.180751D-01 -0.449684D+00
      3   0.394697D+00 -0.110180D+01  0.118135D+01 -0.449684D+00  0.618352D+00
               136           137           138           139           140 
      1  -0.691123D+00 -0.393935D+00  0.902824D+00 -0.118170D+01 -0.195201D-02
      2  -0.393935D+00 -0.496406D+00  0.179717D+00 -0.195201D-02 -0.178287D+00
      3   0.902824D+00  0.179717D+00 -0.326623D+01 -0.259462D+00  0.106949D+01
               141           142           143           144           145 
      1  -0.259462D+00  0.795297D+00 -0.855561D-01 -0.473313D+00  0.122973D+01
      2   0.106949D+01 -0.855561D-01  0.100264D+01 -0.845599D+00  0.759903D+00
      3  -0.184871D+01 -0.473313D+00 -0.845599D+00  0.732618D+01  0.162781D+00
               146           147           148           149           150 
      1   0.759903D+00  0.162781D+00  0.238232D+01  0.125258D+01  0.879625D+00
      2   0.462533D+00  0.375261D-01  0.125258D+01  0.625456D+01  0.113892D+01
      3   0.375261D-01 -0.343567D+00  0.879625D+00  0.113892D+01  0.176316D+01
               151           152           153           154           155 
      1  -0.322935D+00  0.814091D-01 -0.234647D+00  0.205276D+02  0.228142D+01
      2   0.814091D-01  0.275357D-01  0.606308D+00  0.228142D+01  0.191400D+01
      3  -0.234647D+00  0.606308D+00  0.237003D+00 -0.136228D+01 -0.772350D-01
               156           157           158           159           160 
      1  -0.136228D+01  0.474984D+01  0.407958D+01 -0.703304D+00 -0.213787D+01
      2  -0.772350D-01  0.407958D+01  0.218504D+01 -0.276482D+00 -0.423890D+00
      3   0.308299D+01 -0.703304D+00 -0.276482D+00  0.850386D+00  0.271292D+01
               161           162           163           164           165 
      1  -0.423890D+00  0.271292D+01  0.122589D+02  0.342010D-01 -0.398159D+01
      2   0.195794D+00  0.636848D+00  0.342010D-01 -0.283568D-02  0.472041D+00
      3   0.636848D+00 -0.590913D-01 -0.398159D+01  0.472041D+00  0.100795D+01
               166           167           168           169           170 
      1   0.238106D+01 -0.437364D-01 -0.383149D+00 -0.175693D+01  0.591135D+00
      2  -0.437364D-01 -0.689068D+00 -0.144031D+01  0.591135D+00 -0.728901D+00
      3  -0.383149D+00 -0.144031D+01 -0.124807D+00  0.691213D+00 -0.927905D+00
               171           172           173           174           175 
      1   0.691213D+00 -0.105305D+02  0.721989D-01  0.211186D+01 -0.110074D+01
      2  -0.927905D+00  0.721989D-01 -0.367199D+00 -0.678267D+00  0.981969D-01
      3  -0.729461D+01  0.211186D+01 -0.678267D+00 -0.280144D+01  0.337814D-01
               176           177           178           179           180 
      1   0.981969D-01  0.337814D-01  0.565862D+01 -0.570899D+00 -0.204003D+01
      2  -0.688977D+00 -0.704364D+00 -0.570899D+00 -0.889667D+00  0.769178D-01
      3  -0.704364D+00 -0.609096D+00 -0.204003D+01  0.769178D-01 -0.292485D+00
               181           182           183           184           185 
      1  -0.716141D+01  0.935689D+00 -0.132921D+00 -0.140586D+02 -0.169158D+01
      2   0.935689D+00 -0.100994D+02  0.129764D+01 -0.169158D+01  0.654829D+01
      3  -0.132921D+00  0.129764D+01 -0.210605D+01 -0.129158D+01 -0.137068D+01
               186           187           188           189           190 
      1  -0.129158D+01  0.169855D+01 -0.360898D-01 -0.440402D+01 -0.394751D+02
      2  -0.137068D+01 -0.360898D-01 -0.204753D+01 -0.223674D+01 -0.453608D+01
      3  -0.930516D+00 -0.440402D+01 -0.223674D+01 -0.201956D+00 -0.150302D+01
               191           192           193           194           195 
      1  -0.453608D+01 -0.150302D+01  0.856485D+00 -0.333903D+01 -0.191118D+00
      2  -0.985087D+01  0.498257D+00 -0.333903D+01 -0.125833D+02  0.134439D+01
      3   0.498257D+00 -0.273232D+01 -0.191118D+00  0.134439D+01  0.191629D+00
               196           197           198           199           200 
      1  -0.206128D+01 -0.728363D+00 -0.708426D+01  0.405906D+02  0.923129D+01
      2  -0.728363D+00  0.459796D+00 -0.536474D+00  0.923129D+01  0.778332D+01
      3  -0.708426D+01 -0.536474D+00 -0.120082D+01  0.159681D+01 -0.669949D+00
               201           202           203           204           205 
      1   0.159681D+01  0.146798D+02  0.252148D+01  0.644558D+00  0.174031D+01
      2  -0.669949D+00  0.252148D+01  0.542846D+01  0.283035D+00  0.983700D-01
      3   0.636019D+00  0.644558D+00  0.283035D+00  0.179893D+01  0.250760D+00
               206           207           208           209           210 
      1   0.983700D-01  0.250760D+00  0.101066D+02  0.338099D+01  0.415033D+00
      2   0.111938D+01  0.458121D+01  0.338099D+01  0.304443D+01 -0.108228D+00
      3   0.458121D+01 -0.105392D+01  0.415033D+00 -0.108228D+00 -0.337429D+00
               211           212           213           214           215 
      1  -0.259946D+01 -0.306867D+01  0.182628D+00  0.103972D+01  0.539185D+00
      2  -0.306867D+01  0.160861D+01 -0.427167D+00  0.539185D+00  0.236105D+00
      3   0.182628D+00 -0.427167D+00 -0.681478D+00 -0.994934D-01  0.761382D+00
               216           217           218           219           220 
      1  -0.994934D-01 -0.244227D+01 -0.406687D+01 -0.727247D-03 -0.359915D+01
      2   0.761382D+00 -0.406687D+01 -0.356948D+00 -0.579354D+00  0.292171D+01
      3  -0.138502D+00 -0.727247D-03 -0.579354D+00  0.861563D+00 -0.823903D+00
               221           222           223           224           225 
      1   0.292171D+01 -0.823903D+00 -0.237012D+00 -0.719339D+00  0.267827D+01
      2   0.127581D+01  0.113265D+01 -0.719339D+00  0.761447D+00  0.409157D+01
      3   0.113265D+01  0.551258D+01  0.267827D+01  0.409157D+01 -0.102079D+01
               226           227           228           229           230 
      1   0.309798D+00 -0.133455D+01  0.171490D+00 -0.423231D+00  0.785070D-01
      2  -0.133455D+01  0.147807D+01 -0.255101D+00  0.785070D-01 -0.100194D+02
      3   0.171490D+00 -0.255101D+00  0.150461D+00  0.191632D-01  0.104002D+01
               231           232           233           234           235 
      1   0.191632D-01  0.656374D-01 -0.115003D+00 -0.683586D-01 -0.657759D+01
      2   0.104002D+01 -0.115003D+00  0.120982D+01 -0.209470D+00 -0.347425D+01
      3  -0.100617D+01 -0.683586D-01 -0.209470D+00  0.132233D+00 -0.152679D+00
               236           237           238           239           240 
      1  -0.347425D+01 -0.152679D+00 -0.535577D+01 -0.412621D+01  0.133661D+00
      2  -0.264289D+01 -0.588127D-02 -0.412621D+01 -0.416378D+01  0.618794D-01
      3  -0.588127D-02 -0.370828D+00  0.133661D+00  0.618794D-01 -0.578297D+00
               241           242           243           244           245 
      1  -0.211590D-01  0.201335D+00  0.429416D+00 -0.654748D+00  0.213834D+01
      2   0.201335D+00  0.200368D+00 -0.118123D+00  0.213834D+01 -0.163544D+01
      3   0.429416D+00 -0.118123D+00  0.134646D+00 -0.238402D+00  0.306190D+00
               246           247           248           249           250 
      1  -0.238402D+00  0.260672D+01 -0.318489D+01  0.420924D+00 -0.294999D+00
      2   0.306190D+00 -0.318489D+01  0.864528D+01 -0.103272D+01  0.496855D+00
      3  -0.279993D+00  0.420924D+00 -0.103272D+01  0.108347D+01 -0.279834D+00
               251           252           253           254           255 
      1   0.496855D+00 -0.279834D+00 -0.698745D+00 -0.375159D+00  0.150646D+01
      2  -0.107689D+01  0.192181D+00 -0.375159D+00 -0.750068D-01  0.449522D+00
      3   0.192181D+00 -0.173009D+00  0.150646D+01  0.449522D+00 -0.405145D+00
               256           257           258           259           260 
      1  -0.210026D+01 -0.187231D+01  0.134638D+01  0.536987D+01  0.160152D+01
      2  -0.187231D+01 -0.194524D+01  0.145940D+01  0.160152D+01  0.173174D+01
      3   0.134638D+01  0.145940D+01 -0.242296D+01 -0.316519D+01 -0.224364D+01
               261           262           263           264           265 
      1  -0.316519D+01  0.969184D-01 -0.265874D+00 -0.993806D+00 -0.241154D+01
      2  -0.224364D+01 -0.265874D+00  0.115956D+00 -0.127408D+00 -0.219699D+01
      3   0.506122D+01 -0.993806D+00 -0.127408D+00  0.875322D-01 -0.143300D+01
               266           267           268           269           270 
      1  -0.219699D+01 -0.143300D+01 -0.405951D+01 -0.142639D+01 -0.270240D+01
      2  -0.314835D+01 -0.234223D+01 -0.142639D+01 -0.228527D+01 -0.270296D+01
      3  -0.234223D+01 -0.300041D+01 -0.270240D+01 -0.270296D+01 -0.434105D+01
               271           272           273           274           275 
      1  -0.125025D+02  0.315961D+01 -0.112090D+01  0.676109D+01 -0.256039D+01
      2   0.315961D+01 -0.146175D+01  0.295557D+00 -0.256039D+01  0.209934D+01
      3  -0.112090D+01  0.295557D+00 -0.118303D+01  0.612815D+00 -0.382568D+00
               276           277           278           279 
      1   0.612815D+00 -0.147328D+01  0.367707D+00 -0.169970D+01
      2  -0.382568D+00  0.367707D+00 -0.339283D+00  0.583304D-01
      3   0.513196D+00 -0.169970D+01  0.583304D-01 -0.400745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152444D+01 -0.374923D+01 -0.105169D+00 -0.327158D+01 -0.199184D+01
      2  -0.104268D+02  0.371902D+01 -0.612517D-01  0.141770D+02  0.313867D+01
      3  -0.102014D+02  0.446557D+02 -0.574780D+01  0.432496D+02  0.224380D+02
                 6             7             8             9            10 
      1  -0.379130D+00  0.405731D+01  0.764431D+01 -0.454574D+00 -0.172044D+01
      2   0.215541D+00 -0.208627D+02 -0.168867D+01 -0.157098D+01  0.122641D+02
      3   0.636023D-01 -0.183339D+01  0.193980D+01 -0.226298D+01  0.173775D+02
                11            12            13            14            15 
      1  -0.503306D+01  0.132157D+00 -0.385871D+01  0.600391D+00 -0.765381D-02
      2   0.725025D+01 -0.352359D+01 -0.810646D+01  0.919183D+00 -0.707519D+00
      3   0.539868D+02 -0.453586D+01  0.578385D+02  0.184786D+02  0.242878D+01
                16            17            18            19            20 
      1   0.232464D+01  0.706673D+01 -0.723527D+00 -0.258189D+01  0.586863D+00
      2  -0.193284D+02  0.143477D+00 -0.127149D+01  0.193715D+02 -0.717385D+00
      3  -0.193014D+01  0.287552D+01  0.124711D+01  0.260966D+02 -0.325504D+02
                21            22            23            24            25 
      1  -0.894613D+00  0.133618D+01 -0.222706D+01 -0.251275D+01  0.355207D+01
      2  -0.608817D+00  0.375636D+01  0.229563D+00 -0.200668D+01 -0.193548D+02
      3   0.542792D+01  0.893290D+01  0.352043D+01  0.603799D+00  0.204670D+01
                26            27            28            29            30 
      1  -0.114295D+01 -0.151856D+01 -0.180691D+01 -0.646876D+00  0.606857D-01
      2  -0.775184D+01  0.406096D+00 -0.163771D+02 -0.188040D+00  0.148720D+01
      3  -0.193713D+01  0.502130D+01 -0.817253D+00  0.676293D+01 -0.139805D+01
                31            32            33            34            35 
      1  -0.386249D+01  0.575069D+01  0.135858D+01  0.277542D+01  0.136625D+02
      2   0.268542D+01 -0.382272D+00  0.166844D+01 -0.134462D+02 -0.214437D+01
      3   0.280187D+02  0.655809D+01 -0.116312D+01  0.115248D+00  0.115923D+01
                36            37            38            39            40 
      1  -0.903630D+00 -0.150286D+01  0.176812D+01 -0.399548D+01 -0.473032D+00
      2  -0.183624D+01  0.232129D+01  0.608111D+00  0.227947D+01 -0.621149D+01
      3  -0.266480D+01  0.310808D+02  0.361687D+01  0.588714D+00 -0.108052D+02
                41            42            43            44            45 
      1  -0.202479D+01 -0.108860D+00 -0.160438D+02  0.932151D+01 -0.244962D+01
      2   0.755543D+00  0.528304D+00 -0.770180D+01  0.647716D+01 -0.141421D+01
      3   0.217429D+01  0.880449D+00  0.247127D+01  0.142070D+01  0.683655D+01
                46            47            48            49            50 
      1   0.404453D+01  0.139161D+01  0.350824D+01  0.223449D+01  0.117640D+01
      2  -0.305384D+01 -0.526399D+01  0.483208D+00 -0.347151D+01 -0.298819D+01
      3  -0.576726D+02 -0.373599D+02  0.929755D+00 -0.885032D+01 -0.237253D+02
                51            52            53            54            55 
      1  -0.260449D+01  0.674014D+01 -0.465264D+01  0.339154D+01  0.109012D+01
      2   0.751540D+00 -0.182934D+02  0.169781D+01 -0.194594D+01 -0.114918D+01
      3   0.724014D+00 -0.111912D+01 -0.143275D+01 -0.589438D+01 -0.302228D+02
                56            57            58            59            60 
      1   0.509829D+01  0.292189D+01 -0.356139D-01  0.969826D+00 -0.230311D+01
      2  -0.451431D+01 -0.404272D+01 -0.184274D+01 -0.879373D+00  0.326445D+01
      3  -0.370832D+02  0.365077D+01 -0.947706D+00 -0.265571D+02  0.123233D+01
                61            62            63            64            65 
      1   0.395701D+01 -0.436369D+01  0.123813D+01 -0.568143D+00 -0.528849D-02
      2  -0.226570D+02  0.675042D+01 -0.424389D+01  0.139342D+00  0.479335D+00
      3   0.133891D+01 -0.254833D+01 -0.102072D+02  0.771280D+00  0.461626D+00
                66            67            68            69            70 
      1   0.787208D+00  0.543963D+00 -0.190957D+01 -0.372070D+01  0.152706D+00
      2   0.129118D+00  0.955972D+00  0.179991D+00 -0.118504D+01 -0.144034D+01
      3   0.840240D-01  0.454956D+01  0.543938D+01 -0.660008D+00 -0.234462D+00
                71            72            73            74            75 
      1   0.254651D+01  0.484466D+00 -0.103320D+00  0.207608D+00 -0.262107D+01
      2   0.102781D+01 -0.849098D-02 -0.998881D+00 -0.686354D+00  0.226933D+01
      3  -0.691352D+00 -0.656399D+00  0.941582D+01  0.989594D-01  0.191383D+00
                76            77            78            79            80 
      1   0.966270D+00  0.937092D+00 -0.265150D+01  0.228515D+01  0.804795D+00
      2  -0.127952D+01 -0.918231D+00  0.256713D+01 -0.253251D+01  0.299863D+00
      3   0.256790D+01 -0.180886D+01  0.302201D-01  0.106535D+01  0.672327D-01
                81            82            83            84            85 
      1   0.453376D+00  0.704131D+00 -0.617651D+00  0.105546D+01 -0.309773D+00
      2  -0.426464D+00 -0.406230D+00  0.277795D-01  0.451399D+00  0.394652D+00
      3  -0.119048D+01 -0.445469D+01  0.217209D+01 -0.572161D+00  0.503701D+01
                86            87            88            89            90 
      1   0.250879D+01 -0.517870D+01 -0.131450D+01  0.185041D+01  0.301871D+00
      2  -0.373188D+00 -0.655551D+00 -0.388904D+00 -0.795271D+00  0.331022D+00
      3  -0.343797D+01  0.582165D+00 -0.105344D+01  0.104084D+01  0.108872D+01
                91            92            93            94            95 
      1  -0.164266D+01 -0.370860D+00 -0.107234D+01 -0.231670D+01  0.214268D+01
      2   0.119605D+02 -0.107498D+01 -0.729605D+01 -0.486045D+01 -0.274552D+01
      3   0.634673D+01 -0.594409D+01  0.180141D+01  0.856947D+01 -0.215267D+02
                96            97            98            99           100 
      1  -0.296340D+01 -0.445328D+01  0.304809D+01 -0.741722D+00  0.513206D+01
      2  -0.119610D+01 -0.345995D+02 -0.219478D+01  0.455662D+01  0.922451D+01
      3   0.466652D+01  0.411693D+01  0.315260D+01  0.587028D+01 -0.162304D+02
               101           102           103           104           105 
      1   0.529215D+00 -0.714494D-01 -0.175645D+01 -0.112666D+02 -0.360823D+01
      2  -0.296307D+01  0.213344D+02 -0.172971D+01  0.950119D+00  0.829789D+01
      3  -0.167584D+01 -0.259032D+01  0.367848D+01  0.238247D+02  0.589595D+00
               106           107           108           109           110 
      1   0.182556D+01  0.185033D+01  0.635522D+01  0.544123D+01  0.269862D+01
      2   0.157572D+02  0.685731D+01 -0.111210D+02 -0.151813D+02  0.652689D+00
      3  -0.441019D+01 -0.503452D+00 -0.874379D+01  0.263980D+01  0.146049D+02
               111           112           113           114           115 
      1   0.618444D+01  0.112932D+02 -0.483769D+00 -0.149586D+02  0.568992D+01
      2   0.163271D+01  0.386394D+01 -0.108103D+01 -0.585516D+01  0.104571D+02
      3  -0.294200D+00  0.184097D+02  0.120227D+02 -0.255844D+01  0.219430D+00
               116           117           118           119           120 
      1  -0.489384D+01 -0.249427D+00 -0.465277D+00  0.412084D+00  0.188438D+00
      2  -0.193328D+01 -0.113532D+00  0.131562D+01  0.428352D+00  0.290209D+01
      3  -0.220301D+01 -0.317266D+01  0.673796D+01 -0.133212D+01 -0.806600D-01
               121           122           123           124           125 
      1   0.752483D+00 -0.379514D+01 -0.225425D+01  0.223521D+00  0.708224D+00
      2   0.127371D+01  0.175979D+01 -0.495526D+01  0.205613D+01 -0.270808D+01
      3  -0.878734D+00  0.232440D+02 -0.302021D+01  0.554044D+00 -0.234201D+01
               126           127           128           129           130 
      1   0.379847D+00 -0.301968D+01  0.359901D+01 -0.172368D+00  0.320024D+01
      2   0.156286D+01 -0.104169D+02  0.191563D+01  0.646701D+01  0.162039D+01
      3   0.253813D+01  0.808181D+01 -0.864752D+01  0.142028D+01 -0.641349D+01
               131           132           133           134           135 
      1  -0.648427D+00 -0.339574D+00 -0.975056D+00  0.748514D+00 -0.973417D+00
      2  -0.117278D+01 -0.337825D+01  0.187082D+01 -0.109896D+01  0.928451D-01
      3   0.143938D+01 -0.154426D+01  0.114410D+01 -0.142014D+01  0.213937D+01
               136           137           138           139           140 
      1  -0.149432D+01 -0.242981D+01  0.664823D+00 -0.778627D+00 -0.686257D+00
      2   0.754909D+01  0.181746D+01 -0.140823D+02  0.161909D+01  0.420203D+01
      3   0.209402D+01  0.179540D+01 -0.787195D+00  0.144618D+01  0.432994D+00
               141           142           143           144           145 
      1   0.124660D+01  0.415988D-01  0.409260D+01 -0.261035D+01  0.221819D+01
      2  -0.694967D+01 -0.675197D+01 -0.367538D+01  0.298486D+02 -0.827492D+00
      3  -0.396667D+01  0.502080D+00 -0.326071D+01  0.361714D+01 -0.359586D+01
               146           147           148           149           150 
      1   0.764970D+00  0.240075D+00  0.121590D+01  0.139236D+02 -0.102456D+01
      2  -0.112599D+01 -0.111109D+01 -0.733700D+00  0.218092D+01  0.575578D+01
      3  -0.159425D+01 -0.453081D+00 -0.804777D+00 -0.273775D+02 -0.361962D+01
               151           152           153           154           155 
      1   0.364152D+00  0.659234D+00  0.124397D+01 -0.445147D+01 -0.303796D+01
      2  -0.123235D+01  0.201894D+01  0.117111D+01  0.765551D+01  0.114302D+01
      3  -0.135260D+01  0.419478D+00 -0.262247D+01 -0.130518D+02 -0.231079D+02
               156           157           158           159           160 
      1  -0.227695D+01 -0.785146D+01 -0.242573D+01  0.356220D+00 -0.370624D+00
      2   0.227458D+02 -0.361416D+01  0.169087D+01  0.746622D+01  0.799357D+01
      3   0.918776D-01 -0.167672D+02 -0.141666D+02  0.186796D+01  0.114363D+01
               161           162           163           164           165 
      1   0.343499D+01 -0.900375D+00 -0.626335D+01 -0.150704D+01 -0.676518D-01
      2   0.286914D+01  0.859334D+00  0.102173D+02  0.274715D+01  0.106919D+01
      3   0.224533D+01 -0.335017D+01 -0.884885D+01 -0.392419D+01  0.679630D+00
               166           167           168           169           170 
      1  -0.438981D+01  0.162024D+01  0.404937D+01  0.204094D+01  0.792426D+01
      2   0.348127D+01 -0.568493D+01  0.701434D+00 -0.807490D+01 -0.292468D+01
      3  -0.148779D+01  0.214594D+01  0.696397D+01 -0.200830D+00  0.322939D+01
               171           172           173           174           175 
      1  -0.338247D+01  0.577081D+01  0.143265D+01 -0.218791D+01  0.478521D+01
      2  -0.249378D+02 -0.208636D+02 -0.273153D+01 -0.572091D+01 -0.356357D+01
      3   0.372975D+01  0.940943D+01  0.224395D+01  0.815268D-01  0.568028D+01
               176           177           178           179           180 
      1  -0.507542D+00 -0.218700D+01 -0.257591D+01 -0.398922D+00  0.100723D+01
      2  -0.269576D+01 -0.163358D+01 -0.348736D+00 -0.223300D+00 -0.272772D+01
      3   0.976223D+00  0.120857D+01 -0.300274D+01 -0.434892D+00  0.142155D+01
               181           182           183           184           185 
      1   0.473921D+00 -0.371454D+01 -0.382272D+01 -0.487629D+00  0.145758D+01
      2   0.266842D+01  0.771538D+00  0.732200D+01  0.136782D+01  0.221579D+01
      3   0.155527D+02  0.685919D+01 -0.789043D+00 -0.131370D+02  0.711654D+01
               186           187           188           189           190 
      1  -0.134674D+01 -0.129698D+02  0.744129D+01 -0.249875D+01 -0.196599D+01
      2   0.189556D+01 -0.122321D+01  0.109786D+02  0.201380D+00  0.113319D+02
      3  -0.173614D+01  0.151942D+01 -0.698946D+00  0.918542D+00  0.203552D+02
               191           192           193           194           195 
      1  -0.495093D+01  0.117147D+01 -0.408662D+01 -0.125912D+01  0.233540D+01
      2   0.386807D+01 -0.916208D+00  0.498750D+01  0.152762D+01  0.394415D+00
      3   0.226909D+02 -0.606570D+00  0.416258D+02  0.620873D+01  0.241763D+01
               196           197           198           199           200 
      1   0.580847D+00  0.131464D+02 -0.147926D+01  0.236779D+00  0.494877D+01
      2   0.216902D+01 -0.389026D+01  0.193409D+01 -0.849754D+01 -0.562192D+01
      3  -0.300591D+01  0.291143D+01 -0.125811D+01  0.292647D+01 -0.445091D+02
               201           202           203           204           205 
      1  -0.666255D+00  0.141316D+01  0.170635D+01 -0.235794D+01  0.510448D+01
      2   0.260340D+01 -0.574140D+01 -0.382971D+01 -0.305511D+01 -0.201598D+02
      3   0.392571D+01 -0.462863D+01 -0.945328D+01  0.174501D+01  0.227641D+01
               206           207           208           209           210 
      1   0.100129D+01  0.774668D+00  0.145854D+01  0.396203D+01 -0.118502D+01
      2  -0.167158D+02  0.163914D+01 -0.400359D+01 -0.343890D+01  0.142464D+02
      3   0.158581D+00  0.920891D+01 -0.878350D+01 -0.396503D+02  0.165379D+01
               211           212           213           214           215 
      1  -0.576438D+00 -0.147979D+01 -0.407414D+01 -0.235685D+01 -0.115664D+01
      2  -0.188171D+00  0.249604D+01  0.310842D+01 -0.540441D+01 -0.199989D+01
      3   0.395798D+00  0.150692D+02 -0.181783D+01 -0.630356D+00 -0.458347D+01
               216           217           218           219           220 
      1   0.224387D+00  0.628267D+00 -0.149739D+01  0.129926D+01 -0.842722D+00
      2   0.983713D+00 -0.135055D+00  0.405424D+01 -0.611634D+01  0.457609D+01
      3   0.353747D+01 -0.273129D+02  0.136794D+02 -0.531802D+01  0.280109D+02
               221           222           223           224           225 
      1  -0.543437D+00  0.232542D+01  0.977350D+01  0.453134D+01 -0.134990D+01
      2  -0.537327D+01 -0.352499D+02 -0.214882D+02 -0.267031D+02  0.696507D+01
      3   0.196015D+02  0.718689D+01 -0.458684D+01  0.549968D+01  0.271329D+02
               226           227           228           229           230 
      1   0.146097D+00 -0.144780D+00  0.949464D+00  0.901407D-02 -0.657826D+00
      2  -0.751772D+00  0.793599D+00  0.340618D-01  0.452400D+00 -0.209981D+01
      3  -0.612169D+01  0.428050D+01 -0.937353D+00  0.417212D+01 -0.201200D+02
               231           232           233           234           235 
      1  -0.459656D+01 -0.331179D+00  0.272561D+01  0.227638D+00 -0.862177D+00
      2   0.118232D+01  0.104699D+00 -0.270286D+00  0.389030D-01  0.181130D+01
      3   0.220206D+01 -0.106515D+01  0.298602D+01  0.244701D+00  0.174725D+01
               236           237           238           239           240 
      1  -0.400404D+00 -0.183553D+01 -0.657620D-01 -0.134123D+00 -0.231344D+01
      2   0.442891D+00  0.228899D+01  0.809032D-01  0.104787D+00  0.318683D+01
      3  -0.486433D+01  0.403523D+00 -0.425124D+01 -0.107080D+02  0.185645D+00
               241           242           243           244           245 
      1   0.230203D+01  0.776562D+00  0.259941D+00  0.895006D-01 -0.229182D+00
      2  -0.294654D+01  0.123864D+00 -0.642373D+00  0.570710D+00 -0.645921D+00
      3   0.110576D+01  0.684891D+00 -0.115549D+01  0.371294D+01 -0.233851D+01
               246           247           248           249           250 
      1   0.969234D+00 -0.298559D+00  0.560215D-01 -0.400546D+01 -0.106464D+00
      2   0.108882D+01 -0.645996D+00  0.259876D+01 -0.338044D+01 -0.149674D+01
      3   0.504508D+00 -0.150240D+01  0.205324D+02 -0.224317D+01  0.691912D+00
               251           252           253           254           255 
      1   0.180252D+01  0.357950D+00 -0.275183D+00  0.195450D+00 -0.112183D+00
      2   0.375022D-01  0.310271D+00 -0.968963D+01 -0.263280D+01  0.321733D+01
      3  -0.238685D+01  0.683663D-01 -0.368880D+01 -0.246638D+01  0.243696D+01
               256           257           258           259           260 
      1   0.111037D+01  0.737635D+00 -0.253685D+01 -0.276008D+01  0.876433D+00
      2  -0.676281D+01 -0.892743D+01  0.152157D+02  0.157758D+02  0.144040D+02
      3  -0.102739D+02 -0.156907D+02  0.931959D+01  0.825154D+01  0.131663D+02
               261           262           263           264           265 
      1   0.390241D+01  0.815655D+00 -0.417617D-01  0.612288D+00 -0.144080D+00
      2  -0.310395D+02  0.649075D+01  0.187295D+00 -0.106929D+00  0.556677D+01
      3  -0.147246D+02 -0.260131D+01 -0.900962D+00 -0.163916D+00 -0.118676D+02
               266           267           268           269           270 
      1   0.112784D+01 -0.212025D+01 -0.136902D+01  0.176403D+01 -0.233376D+01
      2   0.124900D+02  0.176425D+02  0.115236D+02  0.159035D+02  0.244806D+02
      3  -0.233492D+02 -0.142273D+02 -0.678773D+01 -0.159390D+02 -0.169833D+02
               271           272           273           274           275 
      1  -0.105059D+01  0.781463D+00  0.341559D+00  0.724004D+00 -0.761476D+00
      2   0.370860D+01 -0.121390D+01  0.896154D+01 -0.210764D+01  0.171179D+01
      3   0.219796D+02 -0.132793D+02  0.231568D+01 -0.160079D+02  0.139758D+02
               276           277           278           279 
      1  -0.945093D+00 -0.886654D+00  0.499047D+00  0.534567D-01
      2  -0.363418D+01  0.846529D+01 -0.149231D+00  0.209602D+01
      3  -0.252004D+01  0.265017D+01 -0.257502D+01  0.266168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914439D+02 -0.421714D+02 -0.986444D+00  0.934391D+02 -0.828180D+01
      2   0.468387D+02  0.243122D+02  0.763808D+00 -0.422297D+02  0.110052D+02
      3   0.446052D+02  0.178591D+02  0.222636D+00 -0.512094D+02 -0.272339D+01
      4  -0.338079D+02  0.501394D+01 -0.258154D+01 -0.338793D+01  0.921254D+01
      5   0.272912D+01 -0.223535D+01  0.408256D+00 -0.437687D+01 -0.323556D+01
      6   0.239639D+00  0.155414D+01  0.304238D+00 -0.397710D+01 -0.305691D+01
                 6             7             8             9            10 
      1   0.646999D+01 -0.180488D+02 -0.341763D+01 -0.119378D+02  0.622533D+02
      2  -0.444817D+01  0.793197D+01  0.129084D+01 -0.101818D+01 -0.165278D+02
      3  -0.202182D+01  0.101169D+02  0.212678D+01  0.129560D+02 -0.457256D+02
      4  -0.137176D+01 -0.224001D+01 -0.508296D+00  0.230487D+00 -0.119820D+00
      5  -0.447878D+00  0.162604D+01  0.173827D+01 -0.154071D+01  0.126002D+01
      6   0.189268D+00 -0.263370D+01  0.296886D+01  0.489459D+00 -0.593277D+01
                11            12            13            14            15 
      1  -0.116639D+02  0.690446D+01 -0.113930D+03 -0.223345D+02 -0.669794D+01
      2   0.100151D+02 -0.213680D+01  0.512093D+02  0.188131D+02  0.127533D+01
      3   0.164887D+01 -0.476765D+01  0.627205D+02  0.352134D+01  0.542261D+01
      4   0.394963D+00 -0.565234D+00 -0.179875D+02 -0.136131D+02  0.178512D+00
      5  -0.293401D+01 -0.657220D+01  0.587382D+01  0.214765D+01 -0.168311D+00
      6  -0.111079D+01 -0.656001D+00  0.246496D+01  0.515894D+00 -0.370388D+00
                16            17            18            19            20 
      1   0.181310D+02  0.649327D+00 -0.711167D+01  0.643260D+02  0.435040D+02
      2  -0.650790D+01 -0.114598D+01 -0.220407D+01 -0.284355D+02 -0.278660D+02
      3  -0.116231D+02  0.496656D+00  0.931574D+01 -0.358905D+02 -0.156380D+02
      4   0.218805D+01  0.872307D+00 -0.197939D+01  0.357072D+02 -0.964214D+01
      5  -0.451054D+00 -0.194111D+01 -0.172379D+01 -0.661105D+01  0.161542D+01
      6  -0.198719D+01  0.278951D+01  0.143495D+01 -0.284735D+01 -0.494394D+01
                21            22            23            24            25 
      1   0.311499D+01 -0.123049D+02  0.193623D+02 -0.183848D+01  0.810268D+01
      2  -0.677615D+00  0.194509D+02 -0.247535D+02  0.446440D+01 -0.460029D+01
      3  -0.243738D+01 -0.714601D+01  0.539123D+01 -0.262592D+01 -0.350238D+01
      4   0.268494D+01  0.146856D+02  0.141892D+01 -0.140652D+01  0.360978D+01
      5  -0.551007D+01 -0.198779D+01 -0.274324D+01 -0.687241D+01  0.856940D+01
      6   0.105306D+01 -0.419623D+01  0.396790D+01  0.459306D+01 -0.124850D+01
                26            27            28            29            30 
      1   0.437928D+01 -0.135224D+02  0.231200D+01 -0.159565D+01 -0.347982D+01
      2   0.344723D+01 -0.299040D+00 -0.211489D+02  0.157662D+01  0.277050D+00
      3  -0.782651D+01  0.138215D+02  0.188369D+02  0.190306D-01  0.320277D+01
      4  -0.314183D+01 -0.489055D+01 -0.191767D+02  0.106345D+02 -0.378270D+00
      5  -0.898000D+01 -0.704421D+00  0.103051D+02  0.210419D+01  0.922515D+01
      6   0.130870D+02 -0.283777D+01  0.604078D+01  0.270136D+01 -0.234832D+01
                31            32            33            34            35 
      1  -0.492214D+02 -0.571809D+02  0.494164D+01 -0.169442D+01  0.412194D+01
      2   0.398640D+02  0.500046D+02 -0.589166D+01 -0.429247D+01 -0.523771D+01
      3   0.935744D+01  0.717626D+01  0.950022D+00  0.598690D+01  0.111577D+01
      4  -0.317093D+02  0.326071D+01 -0.174362D+01  0.550346D+01 -0.518702D+00
      5   0.541508D+01 -0.130415D+01  0.325413D+01  0.316243D+02  0.448569D+01
      6  -0.492260D+01  0.179286D+01 -0.328499D+01 -0.395367D+01  0.263861D+01
                36            37            38            39            40 
      1  -0.791984D+00 -0.183083D+02 -0.554256D+02  0.278729D+01  0.387478D+02
      2  -0.102695D+02  0.101895D+02  0.429640D+02 -0.200910D+01 -0.400018D+02
      3   0.110615D+02  0.811883D+01  0.124617D+02 -0.778190D+00  0.125396D+01
      4  -0.194926D+01 -0.104449D+02 -0.398048D+01 -0.769449D+00  0.108014D+02
      5   0.135516D+01  0.184432D+01 -0.379669D+01  0.631908D+01  0.323083D+01
      6   0.202051D+01 -0.356446D+01  0.258918D+01  0.695744D+01  0.873097D+01
                41            42            43            44            45 
      1   0.354127D+02 -0.401499D+01 -0.856950D+01 -0.116609D+02 -0.893150D+01
      2  -0.327288D+02  0.161282D+01  0.732695D+01  0.823927D+01 -0.124588D+01
      3  -0.268383D+01  0.240217D+01  0.124254D+01  0.342163D+01  0.101774D+02
      4  -0.155386D+02  0.384748D+01 -0.245074D+01  0.264040D+01  0.906503D+01
      5   0.531908D+01  0.493772D+01  0.175238D+02  0.508093D+01  0.599423D+00
      6  -0.104952D+01  0.212248D+01  0.190565D+02  0.764265D+01  0.520179D+01
                46            47            48            49            50 
      1   0.309964D+02  0.412753D+02  0.102174D+01 -0.810576D+01  0.220631D+01
      2  -0.245311D+02 -0.326571D+02 -0.262248D+00  0.559702D+01 -0.124090D+02
      3  -0.646537D+01 -0.861818D+01 -0.759492D+00  0.250874D+01  0.102027D+02
      4   0.375040D+01 -0.692319D+01  0.120175D+01  0.776060D+01  0.879215D+01
      5  -0.452500D+01  0.379703D+01 -0.156862D+01 -0.134641D+00 -0.478042D+00
      6   0.415202D+01 -0.495728D+01 -0.458550D+01  0.532516D-01  0.707815D+01
                51            52            53            54            55 
      1  -0.379102D+01  0.584305D+01 -0.107756D+01 -0.217685D+02  0.219306D+02
      2   0.404060D+01 -0.496957D+01  0.415232D+01  0.110444D+02 -0.192099D+02
      3  -0.249583D+00 -0.873477D+00 -0.307477D+01  0.107241D+02 -0.272069D+01
      4  -0.973711D+00  0.257022D+00 -0.417604D+01 -0.257409D+01  0.252380D+02
      5  -0.121226D+00  0.348575D+01  0.859739D+00 -0.239485D+01  0.237816D+01
      6   0.623156D+01 -0.427439D+01  0.227312D+02 -0.243369D+01  0.295159D+01
                56            57            58            59            60 
      1   0.527586D+02 -0.158040D+01  0.731704D+01  0.214573D+02 -0.443640D+01
      2  -0.352775D+02  0.208336D+00 -0.116861D+01 -0.215397D+02  0.513941D+01
      3  -0.174811D+02  0.137207D+01 -0.614843D+01  0.824005D-01 -0.703015D+00
      4  -0.408206D+02  0.461736D+01  0.271728D+02  0.152785D+02  0.162975D+01
      5   0.579246D+01 -0.954678D+01 -0.274292D+01  0.966260D+00  0.456514D+01
      6  -0.137291D+01 -0.520122D+01 -0.275979D+00  0.572445D+01  0.542329D+01
                61            62            63            64            65 
      1   0.240898D+01 -0.159224D+01 -0.208649D+02 -0.125662D+01  0.282116D+01
      2  -0.214235D+01  0.694898D+01  0.894682D+01  0.396439D+01 -0.409050D+01
      3  -0.266634D+00 -0.535675D+01  0.119181D+02 -0.270777D+01  0.126934D+01
      4  -0.207447D+01 -0.372255D+01  0.135039D+02 -0.498441D+01  0.945054D+01
      5   0.133488D+01  0.164511D+02 -0.690807D+01  0.107795D+01 -0.169737D+01
      6   0.880129D+00  0.220972D+02 -0.436173D+01 -0.185344D+01  0.168815D+01
                66            67            68            69            70 
      1  -0.397037D+00  0.708666D+01 -0.313739D+02  0.476262D+01 -0.215366D+00
      2   0.295215D+00 -0.980443D+01  0.381323D+02 -0.360727D+01  0.389786D+00
      3   0.101823D+00  0.271776D+01 -0.675848D+01 -0.115535D+01 -0.174420D+00
      4  -0.132004D+01  0.101653D+02 -0.179454D+02  0.232713D+01 -0.153201D+01
      5   0.138495D+01 -0.186060D+01  0.155727D+01 -0.215026D+01  0.278749D+00
      6  -0.105860D+01  0.284129D+01 -0.951685D+01  0.694571D+01 -0.191382D+01
                71            72            73            74            75 
      1   0.340160D+01 -0.336742D+01  0.911646D+01 -0.500692D+00 -0.329353D+00
      2  -0.376740D+01  0.352767D+01  0.172910D+01  0.769264D+01 -0.460804D-01
      3   0.365803D+00 -0.160247D+00 -0.108456D+02 -0.719195D+01  0.375433D+00
      4   0.271929D+01 -0.871913D+00  0.257877D+02  0.189834D+02  0.344218D-01
      5   0.101170D+00  0.590204D+00  0.114303D+01  0.480022D+00  0.419264D+01
      6   0.321608D+01 -0.193200D+01  0.164818D+01  0.947993D+00  0.268912D+01
                76            77            78            79            80 
      1  -0.209437D+01 -0.860538D+01  0.171419D+00  0.706750D+00  0.890493D+00
      2   0.117868D+02  0.181459D+02 -0.399423D+00 -0.101472D+01 -0.128440D+01
      3  -0.969243D+01 -0.954049D+01  0.228004D+00  0.307974D+00  0.393908D+00
      4   0.248832D+02  0.249846D+02 -0.310445D+00 -0.126187D+01 -0.153781D+01
      5   0.613864D+00 -0.551910D-01  0.375498D+01 -0.968702D+00  0.187905D+01
      6   0.871753D+00  0.147268D+01  0.426350D+01 -0.119690D+01  0.202836D+01
                81            82            83            84            85 
      1   0.132032D+00 -0.428292D+01  0.656807D+01 -0.115423D+01  0.287188D+01
      2   0.822622D+00  0.649420D+01 -0.893060D+01  0.105673D+01 -0.352500D+01
      3  -0.954654D+00 -0.221127D+01  0.236253D+01  0.974980D-01  0.653115D+00
      4   0.200962D+01 -0.275739D+01  0.108231D+02 -0.924137D+00  0.641101D+01
      5  -0.893986D+00 -0.371203D+00 -0.815668D-01  0.163015D+01 -0.166228D+00
      6  -0.675736D+00 -0.495282D+00  0.110189D+01 -0.144362D+01  0.115196D+00
                86            87            88            89            90 
      1  -0.517375D+02  0.509079D+01 -0.116310D+01  0.642284D+01 -0.274512D+01
      2   0.687610D+02 -0.563057D+01  0.120942D+01 -0.772459D+01  0.312159D+01
      3  -0.170234D+02  0.539784D+00 -0.463228D-01  0.130175D+01 -0.376474D+00
      4  -0.859624D+01  0.509701D+00 -0.751726D+00  0.149221D+01 -0.138884D+01
      5  -0.175546D+01 -0.474749D+00  0.873562D+00 -0.931882D+00  0.466312D+00
      6  -0.429910D+01  0.810650D+01  0.742932D+00  0.358492D+01 -0.165623D+01
                91            92            93            94            95 
      1  -0.108337D+02 -0.575000D+01  0.915812D+01 -0.728998D+01  0.146097D+02
      2   0.181327D+02  0.579976D+01  0.968925D+00  0.102903D+02 -0.194138D+02
      3  -0.729903D+01 -0.497618D-01 -0.101270D+02 -0.300035D+01  0.480408D+01
      4  -0.244835D+01  0.149706D+01 -0.429368D+01 -0.224287D+01  0.370007D+02
      5  -0.792834D+00 -0.571002D+01 -0.225558D+02 -0.193880D+02 -0.490296D+01
      6  -0.533899D+01 -0.191184D+01 -0.713277D+00 -0.239577D-01  0.915893D+01
                96            97            98            99           100 
      1  -0.115908D+02  0.464959D+01 -0.558409D+01 -0.236870D+02 -0.584060D+02
      2   0.131156D+02  0.406140D+01  0.541382D+01  0.173045D+02  0.322174D+02
      3  -0.152477D+01 -0.871099D+01  0.170277D+00  0.638248D+01  0.261887D+02
      4  -0.465661D+01 -0.104764D+02 -0.417976D+01 -0.375688D+01  0.257047D+02
      5  -0.473818D+01 -0.571551D+02 -0.666787D+01 -0.360141D+01 -0.321378D+02
      6  -0.131815D+01 -0.345439D+00 -0.719734D+00 -0.442000D+01  0.124336D+02
               101           102           103           104           105 
      1   0.187541D+02 -0.309020D+02  0.335440D+02  0.798286D+00 -0.257798D+00
      2  -0.985408D+01  0.135736D+01 -0.250212D+02 -0.700791D+01 -0.104448D+02
      3  -0.890000D+01  0.295446D+02 -0.852284D+01  0.620962D+01  0.107026D+02
      4  -0.125395D+01  0.362528D+01 -0.427958D+01 -0.394494D+02 -0.164028D+01
      5   0.840154D+01  0.186567D+02  0.225787D+02 -0.456408D+00  0.172990D+02
      6  -0.136187D+00  0.486986D+00 -0.144514D+00 -0.171782D+02  0.103214D+00
               106           107           108           109           110 
      1  -0.632274D+01 -0.282960D+01  0.365818D+02 -0.103870D+03 -0.139298D+02
      2  -0.131209D+02 -0.483217D+01 -0.114193D+02  0.469072D+02  0.246010D+01
      3   0.194436D+02  0.766177D+01 -0.251625D+02  0.569626D+02  0.114697D+02
      4   0.587198D+01  0.198748D+01  0.142853D+02 -0.211167D+02 -0.183473D+02
      5   0.402307D+02  0.139947D+02  0.128282D+02  0.183780D+02  0.752845D+01
      6   0.387316D+01  0.174906D+01  0.111647D+02  0.636235D+01  0.139689D+01
               111           112           113           114           115 
      1   0.901617D+01 -0.255322D+02 -0.115720D+02  0.697691D+01 -0.198638D+02
      2  -0.425124D+01  0.738518D+01  0.112799D+02 -0.329312D+01  0.153900D+02
      3  -0.476494D+01  0.181470D+02  0.292106D+00 -0.368379D+01  0.447387D+01
      4   0.504892D+01  0.773743D+00 -0.175495D+02  0.345868D+00  0.628847D+01
      5  -0.695498D+01  0.137341D+02  0.220503D+01 -0.335245D+01  0.240726D+02
      6  -0.307283D+01  0.263752D+01  0.976133D+00  0.729787D+00  0.919584D+00
               116           117           118           119           120 
      1   0.597653D+01  0.249671D+02 -0.726928D+01 -0.630676D+01 -0.529796D+00
      2  -0.291820D+01 -0.576244D+01  0.848186D+01  0.252484D+01  0.200127D+00
      3  -0.305833D+01 -0.192047D+02 -0.121258D+01  0.378192D+01  0.329669D+00
      4  -0.386446D+00  0.217161D+01 -0.862446D+01  0.700388D+01 -0.696659D+00
      5   0.306450D+01 -0.658930D+01  0.350967D+00 -0.114501D+01  0.675957D+01
      6  -0.494550D+01 -0.347618D+01 -0.236254D+01  0.702504D+00 -0.185122D+00
               121           122           123           124           125 
      1  -0.920806D+01 -0.174301D+02  0.557527D+01 -0.151670D+01  0.218231D+01
      2   0.601404D+00  0.291672D+02 -0.433407D+01  0.109707D+01 -0.785738D+00
      3   0.860666D+01 -0.117371D+02 -0.124120D+01  0.419629D+00 -0.139657D+01
      4   0.157192D+02 -0.451370D+02  0.559057D+01 -0.632512D+00  0.434271D+01
      5  -0.102610D+01  0.534431D+01 -0.113135D+02  0.894883D+01 -0.577378D+01
      6   0.209517D+01 -0.105061D+02  0.620493D+01 -0.182315D+01  0.624247D+01
               126           127           128           129           130 
      1  -0.585921D+00  0.103195D+03 -0.132168D+02  0.197670D+02 -0.242588D+02
      2   0.456299D+00 -0.618017D+02  0.675054D+01 -0.169813D+02  0.140815D+02
      3   0.129623D+00 -0.413938D+02  0.646622D+01 -0.278578D+01  0.101773D+02
      4  -0.613234D+01 -0.195975D+02  0.154977D+02 -0.384223D+01  0.195657D+02
      5   0.471063D+01  0.587647D+02 -0.648515D+01  0.279538D+02 -0.168642D+02
      6  -0.240586D+01 -0.766371D+01  0.615669D+01 -0.194177D+01  0.720130D+01
               131           132           133           134           135 
      1   0.109232D+02 -0.355902D+01  0.963855D+01 -0.598167D+00  0.659046D+01
      2  -0.413958D+01  0.523893D+01 -0.895424D+01  0.174106D+01 -0.739115D+01
      3  -0.678360D+01 -0.167991D+01 -0.684306D+00 -0.114289D+01  0.800684D+00
      4  -0.531981D+01  0.451286D+01 -0.252481D+01  0.160328D+01 -0.439051D+01
      5   0.668500D+01 -0.106106D+02  0.170483D+02 -0.450527D+01  0.834830D+01
      6  -0.179996D+01  0.302065D+01 -0.229941D+01  0.137503D+01 -0.197846D+01
               136           137           138           139           140 
      1  -0.689427D+01 -0.462853D+01  0.228632D+02 -0.679687D+01 -0.695391D+01
      2  -0.472983D+00  0.136372D+01  0.233678D+01  0.453884D+01  0.134017D+01
      3   0.736725D+01  0.326481D+01 -0.252000D+02  0.225803D+01  0.561374D+01
      4  -0.336495D+01 -0.314211D+01  0.131917D+01  0.141224D+01 -0.616119D+00
      5   0.689853D+00 -0.814213D+00 -0.124030D+02 -0.508181D+01  0.516736D+01
      6  -0.237511D+01 -0.374263D+01  0.239321D+01 -0.207262D+00 -0.280032D+01
               141           142           143           144           145 
      1   0.747245D+01  0.107947D+02  0.409496D+01 -0.398274D+02  0.974770D+01
      2   0.300269D+01 -0.362860D+01  0.156892D+01 -0.140206D+02 -0.332196D+01
      3  -0.104751D+02 -0.716609D+01 -0.566388D+01  0.538480D+02 -0.642574D+01
      4   0.709978D+01 -0.422349D+00  0.660628D+01 -0.717394D+01  0.635594D+01
      5  -0.110653D+02  0.529271D+01 -0.492222D+01  0.393916D+02  0.501637D+01
      6   0.865281D+01 -0.257144D+00  0.728745D+01 -0.711506D+01  0.212759D+01
               146           147           148           149           150 
      1   0.541647D+01  0.444949D+01  0.119852D+02 -0.463665D+01 -0.172516D+01
      2  -0.198641D+01 -0.664810D+00 -0.600970D+01  0.139520D+02 -0.289435D+01
      3  -0.343006D+01 -0.378468D+01 -0.597548D+01 -0.931538D+01  0.461951D+01
      4   0.701123D+01  0.629405D+00  0.150393D+02  0.503961D+02  0.912238D+01
      5   0.214649D+01 -0.256837D+00  0.113510D+02  0.941112D+01  0.139130D+02
      6   0.184903D+01  0.145745D+00  0.571991D+01  0.240864D+02  0.828455D+01
               151           152           153           154           155 
      1  -0.556790D+00 -0.151144D+01 -0.516769D+01  0.203095D+03  0.221091D+02
      2   0.122532D+01 -0.999630D+00  0.171623D+01 -0.977330D+02 -0.844499D+01
      3  -0.668534D+00  0.251107D+01  0.345147D+01 -0.105362D+03 -0.136641D+02
      4   0.387837D+00  0.604653D+00  0.450629D+01  0.224004D+02  0.363737D+02
      5  -0.613552D+00  0.446282D+01  0.208604D+00 -0.379964D+02 -0.468668D+01
      6   0.952818D+00  0.443743D+01  0.183168D+01 -0.498591D+01 -0.512839D+01
               156           157           158           159           160 
      1  -0.968931D+01  0.336373D+02  0.336164D+02 -0.251186D+01 -0.117635D+02
      2   0.981600D+01 -0.147340D+02 -0.124754D+02  0.251453D+01  0.104319D+02
      3  -0.126690D+00 -0.189033D+02 -0.211411D+02 -0.266346D-02  0.133160D+01
      4  -0.176825D+01  0.473666D+02  0.255283D+02 -0.372180D+01 -0.320638D+01
      5   0.391071D+02 -0.960786D+01 -0.827451D+01  0.100914D+02  0.371248D+02
      6  -0.200545D+00 -0.925577D+01 -0.486842D+01  0.517246D+01  0.204949D+01
               161           162           163           164           165 
      1  -0.173233D+01  0.207146D+02  0.503650D+02  0.415983D+01 -0.157209D+02
      2   0.141616D+01 -0.150960D+02 -0.357081D+02 -0.128512D+01  0.976666D+01
      3   0.316171D+00 -0.561856D+01 -0.146569D+02 -0.287471D+01  0.595424D+01
      4  -0.261524D+01  0.484500D+01 -0.146550D+01  0.720608D+01  0.373574D+01
      5   0.662552D+01 -0.731581D+01 -0.342061D+02  0.159561D+01  0.184309D+02
      6   0.478787D+01 -0.161208D+01  0.710357D+00 -0.125080D+01 -0.126249D+01
               166           167           168           169           170 
      1   0.124138D+02 -0.841451D+01 -0.351898D+01  0.179943D+01 -0.318335D+01
      2  -0.660662D+01  0.315979D+01  0.239598D+01  0.143648D+01  0.773115D+00
      3  -0.580719D+01  0.525472D+01  0.112299D+01 -0.323591D+01  0.241023D+01
      4   0.398578D+01 -0.457956D+01 -0.111738D+02  0.505664D+01 -0.659531D+01
      5  -0.433434D+01 -0.107598D+02 -0.397600D+00  0.150594D+02 -0.683009D+01
      6  -0.114714D+01  0.444108D+01  0.119708D+02 -0.351990D+01  0.121683D+02
               171           172           173           174           175 
      1  -0.338696D+02 -0.492893D+02 -0.573961D+01 -0.564883D+01 -0.922092D+01
      2  -0.108351D+02  0.314607D+02  0.272292D+01 -0.499099D+01  0.558881D+01
      3   0.447047D+02  0.178285D+02  0.301669D+01  0.106398D+02  0.363210D+01
      4  -0.833031D+01  0.215949D+01 -0.462451D+01 -0.305817D+01  0.537705D+00
      5  -0.433436D+02  0.267207D+02 -0.158967D+01 -0.155774D+02  0.286128D+01
      6   0.982112D+01  0.811294D-02  0.410809D+01  0.408929D+01  0.665218D+00
               176           177           178           179           180 
      1  -0.608198D+01 -0.223280D+01  0.985126D+01 -0.675412D+00 -0.890887D+01
      2   0.412207D+01  0.675708D+00 -0.114993D+02  0.304290D+00  0.477682D+01
      3   0.195991D+01  0.155709D+01  0.164808D+01  0.371121D+00  0.413205D+01
      4  -0.214151D+01 -0.312117D+01 -0.177837D+01  0.684172D+00  0.776044D+00
      5  -0.214946D+01 -0.233993D+01 -0.111683D+02  0.536552D+00  0.316109D+01
      6   0.237713D+01  0.350627D+01  0.297695D+01  0.782902D+00  0.100351D+00
               181           182           183           184           185 
      1   0.535252D+00 -0.519765D+02  0.362452D+01  0.951836D+02  0.261909D+02
      2   0.236390D+01  0.374196D+02 -0.991427D+00 -0.655515D+02 -0.229389D+02
      3  -0.289915D+01  0.145569D+02 -0.263309D+01 -0.296321D+02 -0.325195D+01
      4  -0.165050D+02  0.442776D+02 -0.680907D+01  0.153039D+02 -0.392324D+02
      5  -0.502467D+01 -0.885444D+01  0.159035D+02  0.632543D+01  0.748438D+01
      6  -0.386803D+01 -0.314851D+01  0.781850D+01  0.627893D+01  0.288055D+01
               186           187           188           189           190 
      1   0.386127D+01 -0.145140D+02 -0.836557D+01  0.546592D+01  0.136150D+03
      2  -0.242487D+01  0.130905D+02  0.683893D+01 -0.968599D+01 -0.683559D+02
      3  -0.143639D+01  0.142347D+01  0.152664D+01  0.422007D+01 -0.677940D+02
      4   0.817988D+01 -0.234710D+01  0.110630D+02  0.177597D+02 -0.521570D+00
      5   0.593857D+01  0.328802D+02  0.157596D+02 -0.243969D+01 -0.151216D+01
      6   0.293544D+01  0.169517D+02  0.799334D+01  0.278731D+01 -0.179028D+01
               191           192           193           194           195 
      1   0.186455D+02  0.619117D+01 -0.503572D+02 -0.229350D+02  0.132385D+01
      2  -0.883171D+01 -0.187060D+01  0.434867D+02  0.271850D+02 -0.289497D+01
      3  -0.981376D+01 -0.432057D+01  0.687043D+01 -0.425006D+01  0.157112D+01
      4   0.326070D+02 -0.319731D+01 -0.159280D+02  0.621213D+02 -0.835249D+01
      5  -0.290564D+01 -0.230008D+00  0.395751D+01 -0.756539D+01  0.741350D+00
      6  -0.217651D+01 -0.215088D+01 -0.707147D+01 -0.377517D+01 -0.240860D+01
               196           197           198           199           200 
      1   0.734254D+01  0.632855D+01  0.261337D+02 -0.114112D+03 -0.340424D+01
      2  -0.646324D+01 -0.543659D+01 -0.228585D+02  0.437551D+02 -0.344470D+01
      3  -0.879308D+00 -0.891961D+00 -0.327513D+01  0.703572D+02  0.684894D+01
      4   0.755704D+01 -0.417874D+01 -0.132711D+01 -0.500982D+01 -0.333882D+02
      5   0.510159D+02  0.370517D+01  0.346731D+01 -0.213759D+01  0.764230D+01
      6  -0.229574D+01  0.279800D+01  0.142664D+01  0.702886D+01  0.197807D+00
               201           202           203           204           205 
      1  -0.618567D+01 -0.721017D+02 -0.221250D+01 -0.661194D+01 -0.862256D-01
      2   0.293322D+01  0.436756D+02 -0.116513D+02  0.553746D+01 -0.228531D+01
      3   0.325246D+01  0.284261D+02  0.138638D+02  0.107448D+01  0.237153D+01
      4   0.575492D+01  0.272703D+01 -0.194547D+02 -0.137468D+01  0.181336D+01
      5   0.286036D+01 -0.239877D+01 -0.216195D+01 -0.729712D+01  0.109878D+01
      6   0.511689D+00 -0.899871D+00  0.603298D+01  0.395831D+01 -0.230372D+01
               206           207           208           209           210 
      1   0.232472D+00 -0.212782D+02 -0.114129D+02 -0.267906D+02 -0.187256D+01
      2   0.417538D+01  0.484586D+01  0.336473D+01  0.138633D+02 -0.640122D+00
      3  -0.440786D+01  0.164323D+02  0.804813D+01  0.129273D+02  0.251269D+01
      4  -0.764442D+01 -0.228497D+02 -0.229671D+02  0.967738D+01  0.391290D+00
      5  -0.251269D+02  0.323091D+01  0.185022D+01  0.815735D+00  0.280445D+02
      6   0.171908D+02 -0.112052D+01  0.344666D+00  0.192052D+01  0.250524D+01
               211           212           213           214           215 
      1   0.260096D+01  0.107763D+02 -0.191028D+01 -0.204162D+01 -0.263080D+01
      2  -0.654598D+01 -0.228593D+01  0.159228D+01 -0.582608D-01  0.219941D+01
      3   0.394502D+01 -0.849041D+01  0.318001D+00  0.209988D+01  0.431391D+00
      4   0.353216D+02 -0.214797D+02  0.422349D+01 -0.395736D+01  0.135190D+01
      5  -0.449479D+01  0.250706D+01  0.493167D+01  0.943504D+01 -0.627482D+01
      6   0.176159D+01 -0.513781D+00  0.709622D+01 -0.344955D+01  0.465728D+01
               216           217           218           219           220 
      1  -0.498401D+00 -0.285953D+02  0.503524D+02 -0.501443D+01  0.499507D+02
      2  -0.112518D+00  0.166698D+02 -0.258604D+02  0.289929D+01 -0.224212D+02
      3   0.610919D+00  0.119255D+02 -0.244921D+02  0.211514D+01 -0.275295D+02
      4  -0.708634D+01  0.494760D+02 -0.771825D+01  0.751480D+01 -0.382117D+02
      5   0.380245D+01 -0.585423D+01  0.784682D+01 -0.172680D+02  0.117910D+02
      6  -0.154301D+01  0.300507D+01 -0.201625D+00 -0.252999D+01 -0.270168D+01
               221           222           223           224           225 
      1  -0.148431D+02  0.148609D+02 -0.265904D+01  0.119880D+02 -0.104684D+02
      2   0.854197D+01 -0.664233D+01  0.186531D+00 -0.582270D+01  0.631459D+01
      3   0.630115D+01 -0.821862D+01  0.247251D+01 -0.616533D+01  0.415379D+01
      4  -0.191728D+02 -0.126661D+02  0.980781D+01 -0.862968D+01 -0.471048D+02
      5  -0.117691D+02 -0.685865D+02 -0.328743D+02 -0.484378D+02  0.141005D+02
      6  -0.356660D+01 -0.128500D+02 -0.103921D+02 -0.983462D+01 -0.118786D+01
               226           227           228           229           230 
      1  -0.445743D+01  0.123862D+02 -0.184959D+01  0.245909D+01 -0.497546D+02
      2   0.562564D+01 -0.111752D+02  0.123746D+01 -0.968018D+00  0.633040D+02
      3  -0.116821D+01 -0.121098D+01  0.612137D+00 -0.149107D+01 -0.135495D+02
      4   0.274464D+01  0.495550D+01 -0.608047D-01  0.459393D+01  0.263650D+02
      5  -0.599236D+00  0.109155D+00  0.944918D+00 -0.409663D+00 -0.510918D+01
      6  -0.102782D+01  0.181522D+01 -0.140217D+01 -0.225507D+00 -0.961227D+01
               231           232           233           234           235 
      1   0.551109D+01 -0.751256D+00  0.644561D+01 -0.244218D+01  0.380042D+02
      2  -0.517233D+01  0.512728D+00 -0.707923D+01  0.272037D+01 -0.122069D+02
      3  -0.338756D+00  0.238528D+00  0.633621D+00 -0.278195D+00 -0.257973D+02
      4  -0.303862D+01 -0.582483D-01 -0.294016D+01 -0.848010D+00  0.373503D+02
      5   0.320444D+01  0.153209D+01 -0.162642D+00 -0.659326D-01 -0.145708D+01
      6   0.818487D+01  0.157148D+00  0.361228D+01 -0.169390D+01  0.225638D-01
               236           237           238           239           240 
      1   0.169760D+02  0.751558D+00  0.259465D+02  0.101896D+02  0.748639D-01
      2  -0.216810D+01 -0.269233D+00 -0.252449D+01  0.781979D+01  0.755121D-01
      3  -0.148079D+02 -0.482326D+00 -0.234220D+02 -0.180094D+02 -0.150376D+00
      4   0.263944D+02  0.162695D+00  0.390564D+02  0.380931D+02 -0.720930D+00
      5  -0.120609D+01  0.414156D+01 -0.284365D+01 -0.264123D+01  0.541478D+01
      6  -0.201983D+00  0.219545D+01 -0.126410D+01 -0.900581D+00  0.389950D+01
               241           242           243           244           245 
      1   0.246510D+00  0.828965D-01 -0.122169D+01 -0.197043D+01 -0.525047D+01
      2  -0.926596D+00 -0.608068D+00  0.100930D+01  0.532818D+01 -0.167875D+01
      3   0.680086D+00  0.525172D+00  0.212394D+00 -0.335775D+01  0.692922D+01
      4  -0.126340D+01 -0.167131D+01  0.169700D+01 -0.152115D+02  0.171553D+02
      5  -0.183785D+01  0.137076D+01 -0.652373D+00  0.117355D+01 -0.176907D+01
      6  -0.795494D+00  0.142575D+01 -0.488266D+00 -0.940586D+00  0.128821D+01
               246           247           248           249           250 
      1   0.210765D+00 -0.168153D+01 -0.206172D+02  0.249119D+01 -0.155332D+00
      2   0.182456D+00 -0.826916D+01  0.366498D+02 -0.305267D+01  0.724313D+00
      3  -0.393221D+00  0.995069D+01 -0.160325D+02  0.561482D+00 -0.568981D+00
      4  -0.250985D+01  0.241770D+02 -0.516490D+02  0.595075D+01 -0.339873D+01
      5   0.249861D+01 -0.196390D+01  0.351555D+01 -0.608896D+01  0.218484D+01
      6  -0.143349D+01  0.175844D+01 -0.514925D+01  0.703292D+01 -0.246059D+01
               251           252           253           254           255 
      1   0.172726D+01 -0.147843D+01  0.176823D+02  0.517501D+01 -0.159088D+02
      2  -0.337128D+01  0.269100D+01 -0.946955D+01 -0.230702D+01  0.786377D+01
      3   0.164401D+01 -0.121257D+01 -0.821280D+01 -0.286800D+01  0.804506D+01
      4   0.678088D+01 -0.193030D+01  0.656465D+01  0.499240D+01 -0.694517D+01
      5  -0.667864D+00  0.107498D+01 -0.188249D+02 -0.669729D+01  0.833524D+01
      6   0.305824D+01 -0.176039D+01 -0.271663D+01 -0.861929D+00  0.362253D+00
               256           257           258           259           260 
      1   0.211430D+02  0.112006D+02 -0.955993D+01 -0.516131D+02 -0.107449D+02
      2  -0.105069D+02 -0.363037D+01  0.409306D+01  0.294109D+02  0.528294D+01
      3  -0.106361D+02 -0.757026D+01  0.546686D+01  0.222022D+02  0.546198D+01
      4   0.255804D+02  0.245561D+02 -0.172559D+02 -0.209537D+02 -0.211455D+02
      5  -0.180151D+02 -0.179706D+02  0.301797D+02  0.421810D+02  0.270564D+02
      6  -0.349235D+01 -0.433652D+01  0.742269D+01  0.685011D+01  0.695859D+01
               261           262           263           264           265 
      1   0.164247D+02  0.743690D+01  0.486979D+01  0.133409D+02  0.219854D+02
      2  -0.149098D+02 -0.456602D+01 -0.232037D+01 -0.620820D+01 -0.112054D+02
      3  -0.151493D+01 -0.287088D+01 -0.254942D+01 -0.713268D+01 -0.107800D+02
      4   0.257362D+02  0.490155D+01  0.321426D+01  0.336704D+01  0.292624D+02
      5  -0.609022D+02  0.131608D+02  0.300371D+01  0.243041D+01  0.181943D+02
      6  -0.809670D+01  0.245031D+01  0.114509D+00 -0.404437D+00  0.646971D+01
               266           267           268           269           270 
      1   0.828903D+01  0.397808D+01  0.371179D+02  0.361918D+01  0.747190D+01
      2  -0.135154D+01 -0.264362D+01 -0.215411D+02 -0.278371D+01 -0.115512D+02
      3  -0.693750D+01 -0.133446D+01 -0.155768D+02 -0.835475D+00  0.407931D+01
      4   0.375541D+02  0.265431D+02  0.181865D+02  0.263894D+02  0.300106D+02
      5   0.260827D+02  0.353659D+02  0.342742D+02  0.303934D+02  0.478331D+02
      6   0.989553D+01  0.106476D+02  0.801903D+01  0.100473D+02  0.112795D+02
               271           272           273           274           275 
      1   0.164703D+03 -0.380177D+02  0.135637D+02 -0.779102D+02  0.288414D+02
      2  -0.847575D+02  0.190115D+02 -0.792140D+01  0.389405D+02 -0.128753D+02
      3  -0.799456D+02  0.190062D+02 -0.564227D+01  0.389697D+02 -0.159661D+02
      4  -0.454650D+02  0.233140D+02 -0.419303D+01  0.385296D+02 -0.285349D+02
      5   0.168443D+02 -0.409580D+01  0.180667D+02 -0.822967D+01  0.493946D+01
      6  -0.176279D+01  0.101312D+01 -0.921983D+00  0.177728D+01 -0.129624D+01
               276           277           278           279 
      1  -0.675489D+01  0.171444D+02 -0.438920D+01  0.167594D+02
      2   0.389972D+01 -0.101783D+02  0.255482D+01 -0.985231D+01
      3   0.285517D+01 -0.696614D+01  0.183438D+01 -0.690707D+01
      4   0.510415D+01 -0.519782D+01  0.445383D+01 -0.201246D+01
      5  -0.756694D+01  0.244585D+02 -0.179052D+01  0.554435D+01
      6   0.238411D+01 -0.172672D+01  0.278030D+01 -0.587669D+00
 Leave Link  716 at Thu Aug 12 23:38:30 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.307086D+03  0.145525D+02  0.116369D+02
      2   0.145525D+02  0.166637D+03 -0.382515D+01
      3   0.116369D+02 -0.382515D+01  0.118850D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.815163D+01  0.266792D+02  0.662331D+01
      2  -0.465750D+02  0.992544D+01  0.269883D+02
      3   0.883999D+01  0.575841D+02 -0.706480D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.339552D+03 -0.938730D+01 -0.467594D+02
      2   0.137646D+03  0.150559D+02 -0.554543D+01
      3   0.201905D+03 -0.566855D+01  0.523048D+02
      4  -0.163800D+02 -0.140932D+03  0.221137D+02
      5   0.299389D+02  0.207280D+02  0.645744D+02
      6   0.543237D+01  0.446142D+02 -0.235422D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.388013D+02  0.814390D+01  0.143163D+01 -0.487267D+02 -0.479907D+01
      2   0.814390D+01  0.357550D+01  0.282962D+00 -0.479907D+01 -0.531362D+01
      3   0.143163D+01  0.282962D+00 -0.433357D+00 -0.274691D+01  0.120231D+00
                 6             7             8             9            10 
      1  -0.274691D+01  0.774767D+01  0.125672D+01  0.179853D+01 -0.298217D+02
      2   0.120231D+00  0.125672D+01  0.649383D+00 -0.904119D+00 -0.626127D+01
      3  -0.208042D+00  0.179853D+01 -0.904119D+00  0.402976D+00 -0.967942D+00
                11            12            13            14            15 
      1  -0.626127D+01 -0.967942D+00  0.525335D+02  0.589955D+01  0.307476D+01
      2  -0.666220D+00 -0.291383D+00  0.589955D+01  0.624131D+01 -0.451363D-01
      3  -0.291383D+00 -0.224242D+00  0.307476D+01 -0.451363D-01  0.761487D-01
                16            17            18            19            20 
      1  -0.786738D+01 -0.122328D+01 -0.973984D+00 -0.518478D+02 -0.101971D+02
      2  -0.122328D+01 -0.563156D+00  0.858891D+00 -0.101971D+02 -0.968474D+01
      3  -0.973984D+00  0.858891D+00 -0.188365D+00 -0.135814D+01  0.398356D+00
                21            22            23            24            25 
      1  -0.135814D+01 -0.153481D+02 -0.176749D+01  0.202765D+00 -0.235967D+01
      2   0.398356D+00 -0.176749D+01 -0.483706D+01 -0.521783D+00  0.283880D+00
      3  -0.599360D+00  0.202765D+00 -0.521783D+00 -0.200321D+01  0.524233D+00
                26            27            28            29            30 
      1   0.283880D+00  0.524233D+00  0.498105D+02  0.404935D+01  0.115214D+01
      2  -0.123382D+01 -0.393915D+01  0.404935D+01  0.604704D+01  0.317825D-02
      3  -0.393915D+01  0.114808D+01  0.115214D+01  0.317825D-02  0.222219D+01
                31            32            33            34            35 
      1   0.207808D+01  0.348826D+01  0.585733D+00  0.201090D+00  0.733988D+00
      2   0.348826D+01  0.148535D+02 -0.766812D+00  0.733988D+00 -0.287080D+00
      3   0.585733D+00 -0.766812D+00  0.419247D+00  0.652891D+01  0.790144D+00
                36            37            38            39            40 
      1   0.652891D+01  0.934277D+01 -0.156951D+01  0.526488D+00  0.884790D+01
      2   0.790144D+00 -0.156951D+01  0.121342D+02 -0.105177D+01  0.125091D+01
      3   0.758855D+00  0.526488D+00 -0.105177D+01  0.181157D+01  0.419288D+00
                41            42            43            44            45 
      1   0.125091D+01  0.419288D+00  0.878839D-02  0.162405D+00  0.473138D+01
      2  -0.929539D+01  0.121902D+01  0.162405D+00  0.243653D+01  0.159892D+01
      3   0.121902D+01  0.958744D+00  0.473138D+01  0.159892D+01  0.701266D+00
                46            47            48            49            50 
      1  -0.131537D+02  0.273378D+01 -0.146058D+01  0.126266D+01  0.230357D+01
      2   0.273378D+01 -0.870508D+01  0.310677D+00  0.230357D+01  0.887537D+00
      3  -0.146058D+01  0.310677D+00 -0.105344D+01 -0.316143D+00  0.782667D+00
                51            52            53            54            55 
      1  -0.316143D+00 -0.111241D+01 -0.646332D+00 -0.103095D+01  0.339228D+01
      2   0.782667D+00 -0.646332D+00  0.174959D+00  0.440945D+01 -0.374693D+01
      3   0.134629D+01 -0.103095D+01  0.440945D+01 -0.123486D+01  0.675602D+00
                56            57            58            59            60 
      1  -0.374693D+01  0.675602D+00 -0.294045D+01 -0.376481D+01  0.371957D+00
      2   0.617473D+01 -0.548277D+00 -0.376481D+01 -0.243270D+01 -0.630812D+00
      3  -0.548277D+00  0.155273D+01  0.371957D+00 -0.630812D+00 -0.129003D+01
                61            62            63            64            65 
      1   0.672989D+00  0.456996D+00 -0.833072D-01  0.461708D+00 -0.195391D+01
      2   0.456996D+00 -0.161912D+00 -0.425951D+01 -0.195391D+01  0.101866D+01
      3  -0.833072D-01 -0.425951D+01  0.125573D+01  0.273299D+00 -0.266897D+00
                66            67            68            69            70 
      1   0.273299D+00 -0.208006D+01  0.250825D+01 -0.446484D+00  0.428914D+00
      2  -0.266897D+00  0.250825D+01 -0.756974D+01  0.107775D+01 -0.509816D+00
      3   0.150850D+00 -0.446484D+00  0.107775D+01 -0.973668D+00  0.177136D-01
                71            72            73            74            75 
      1  -0.509816D+00  0.177136D-01  0.656005D+01  0.315685D+01  0.132229D+00
      2   0.101493D+01 -0.191720D+00  0.315685D+01  0.272956D+01 -0.177503D-03
      3  -0.191720D+00  0.202001D+00  0.132229D+00 -0.177503D-03  0.547568D+00
                76            77            78            79            80 
      1   0.441602D+01  0.396054D+01 -0.405638D-01 -0.793063D-01 -0.319359D+00
      2   0.396054D+01  0.409952D+01 -0.103200D-01 -0.319359D+00 -0.270860D+00
      3  -0.405638D-01 -0.103200D-01  0.662301D+00 -0.456430D+00  0.280238D+00
                81            82            83            84            85 
      1  -0.456430D+00 -0.692670D+00  0.137007D+01 -0.207055D+00  0.611908D+00
      2   0.280238D+00  0.137007D+01 -0.149717D+01  0.238085D+00 -0.636508D+00
      3  -0.212832D+00 -0.207055D+00  0.238085D+00 -0.159332D+00  0.465868D-01
                86            87            88            89            90 
      1  -0.636508D+00  0.465868D-01 -0.237429D+00  0.219889D+00  0.125328D+00
      2   0.105361D+02 -0.101597D+01  0.219889D+00 -0.127878D+01  0.252289D+00
      3  -0.101597D+01  0.103726D+01  0.125328D+00  0.252289D+00 -0.142005D+00
                91            92            93            94            95 
      1  -0.165487D+02 -0.172166D+01  0.558053D-01 -0.621632D+00 -0.188011D+00
      2  -0.172166D+01  0.335641D+00 -0.576706D+00 -0.188011D+00  0.479586D+01
      3   0.558053D-01 -0.576706D+00 -0.323954D+01 -0.197388D+01 -0.823721D+00
                96            97            98            99           100 
      1  -0.197388D+01  0.559106D+00 -0.143835D+01 -0.742816D+01 -0.549896D+01
      2  -0.823721D+00 -0.143835D+01 -0.548417D+00 -0.881266D+00  0.265075D+01
      3  -0.737321D+00 -0.742816D+01 -0.881266D+00  0.282652D+00 -0.145137D+01
               101           102           103           104           105 
      1   0.265075D+01 -0.145137D+01  0.693068D+01 -0.140181D+00  0.158020D+01
      2  -0.497925D+00  0.264522D+00 -0.140181D+00 -0.463774D+01 -0.554772D-01
      3   0.264522D+00  0.360062D+01  0.158020D+01 -0.554772D-01  0.244260D+01
               106           107           108           109           110 
      1   0.401936D+01  0.101217D+01  0.530098D+01 -0.757605D+01 -0.160790D+01
      2   0.101217D+01  0.505390D+00  0.189317D+01 -0.160790D+01 -0.458686D+00
      3   0.530098D+01  0.189317D+01 -0.452999D+00  0.376297D+00  0.487153D+00
               111           112           113           114           115 
      1   0.376297D+00 -0.208578D+01 -0.256894D+00  0.123892D+01 -0.714371D+01
      2   0.487153D+00 -0.256894D+00 -0.100919D+01 -0.985139D-01  0.551817D+00
      3   0.976040D+00  0.123892D+01 -0.985139D-01  0.445068D+00  0.413815D+01
               116           117           118           119           120 
      1   0.551817D+00  0.413815D+01 -0.155747D+01 -0.101377D+01  0.934314D-01
      2  -0.662685D+00  0.306601D+00 -0.101377D+01  0.395055D+00 -0.303470D-01
      3   0.306601D+00 -0.556932D+00  0.934314D-01 -0.303470D-01  0.709137D+00
               121           122           123           124           125 
      1  -0.282517D+01  0.167844D+01 -0.542900D-01 -0.197699D+00 -0.886589D-01
      2   0.167844D+01 -0.645671D+01  0.820929D+00 -0.886589D-01  0.666508D+00
      3  -0.542900D-01  0.820929D+00 -0.158448D+01  0.111493D+01 -0.948069D+00
               126           127           128           129           130 
      1   0.111493D+01  0.139423D+02 -0.157961D+01  0.334724D+01 -0.363972D+01
      2  -0.948069D+00 -0.157961D+01  0.128983D+01 -0.254403D+00  0.159714D+01
      3   0.703777D+00  0.334724D+01 -0.254403D+00  0.213809D+01 -0.112996D+01
               131           132           133           134           135 
      1   0.159714D+01 -0.112996D+01  0.135666D+01 -0.324053D+00  0.118135D+01
      2  -0.490703D+00  0.394697D+00 -0.324053D+00 -0.180751D-01 -0.449684D+00
      3   0.394697D+00 -0.110180D+01  0.118135D+01 -0.449684D+00  0.618352D+00
               136           137           138           139           140 
      1  -0.691123D+00 -0.393935D+00  0.902824D+00 -0.118170D+01 -0.195201D-02
      2  -0.393935D+00 -0.496406D+00  0.179717D+00 -0.195201D-02 -0.178287D+00
      3   0.902824D+00  0.179717D+00 -0.326623D+01 -0.259462D+00  0.106949D+01
               141           142           143           144           145 
      1  -0.259462D+00  0.795297D+00 -0.855561D-01 -0.473313D+00  0.122973D+01
      2   0.106949D+01 -0.855561D-01  0.100264D+01 -0.845599D+00  0.759903D+00
      3  -0.184871D+01 -0.473313D+00 -0.845599D+00  0.732618D+01  0.162781D+00
               146           147           148           149           150 
      1   0.759903D+00  0.162781D+00  0.238232D+01  0.125258D+01  0.879625D+00
      2   0.462533D+00  0.375261D-01  0.125258D+01  0.625456D+01  0.113892D+01
      3   0.375261D-01 -0.343567D+00  0.879625D+00  0.113892D+01  0.176316D+01
               151           152           153           154           155 
      1  -0.322935D+00  0.814091D-01 -0.234647D+00  0.205276D+02  0.228142D+01
      2   0.814091D-01  0.275357D-01  0.606308D+00  0.228142D+01  0.191400D+01
      3  -0.234647D+00  0.606308D+00  0.237003D+00 -0.136228D+01 -0.772350D-01
               156           157           158           159           160 
      1  -0.136228D+01  0.474984D+01  0.407958D+01 -0.703304D+00 -0.213787D+01
      2  -0.772350D-01  0.407958D+01  0.218504D+01 -0.276482D+00 -0.423890D+00
      3   0.308299D+01 -0.703304D+00 -0.276482D+00  0.850386D+00  0.271292D+01
               161           162           163           164           165 
      1  -0.423890D+00  0.271292D+01  0.122589D+02  0.342010D-01 -0.398159D+01
      2   0.195794D+00  0.636848D+00  0.342010D-01 -0.283568D-02  0.472041D+00
      3   0.636848D+00 -0.590913D-01 -0.398159D+01  0.472041D+00  0.100795D+01
               166           167           168           169           170 
      1   0.238106D+01 -0.437364D-01 -0.383149D+00 -0.175693D+01  0.591135D+00
      2  -0.437364D-01 -0.689068D+00 -0.144031D+01  0.591135D+00 -0.728901D+00
      3  -0.383149D+00 -0.144031D+01 -0.124807D+00  0.691213D+00 -0.927905D+00
               171           172           173           174           175 
      1   0.691213D+00 -0.105305D+02  0.721989D-01  0.211186D+01 -0.110074D+01
      2  -0.927905D+00  0.721989D-01 -0.367199D+00 -0.678267D+00  0.981969D-01
      3  -0.729461D+01  0.211186D+01 -0.678267D+00 -0.280144D+01  0.337814D-01
               176           177           178           179           180 
      1   0.981969D-01  0.337814D-01  0.565862D+01 -0.570899D+00 -0.204003D+01
      2  -0.688977D+00 -0.704364D+00 -0.570899D+00 -0.889667D+00  0.769178D-01
      3  -0.704364D+00 -0.609096D+00 -0.204003D+01  0.769178D-01 -0.292485D+00
               181           182           183           184           185 
      1  -0.716141D+01  0.935689D+00 -0.132921D+00 -0.140586D+02 -0.169158D+01
      2   0.935689D+00 -0.100994D+02  0.129764D+01 -0.169158D+01  0.654829D+01
      3  -0.132921D+00  0.129764D+01 -0.210605D+01 -0.129158D+01 -0.137068D+01
               186           187           188           189           190 
      1  -0.129158D+01  0.169855D+01 -0.360898D-01 -0.440402D+01 -0.394751D+02
      2  -0.137068D+01 -0.360898D-01 -0.204753D+01 -0.223674D+01 -0.453608D+01
      3  -0.930516D+00 -0.440402D+01 -0.223674D+01 -0.201956D+00 -0.150302D+01
               191           192           193           194           195 
      1  -0.453608D+01 -0.150302D+01  0.856485D+00 -0.333903D+01 -0.191118D+00
      2  -0.985087D+01  0.498257D+00 -0.333903D+01 -0.125833D+02  0.134439D+01
      3   0.498257D+00 -0.273232D+01 -0.191118D+00  0.134439D+01  0.191629D+00
               196           197           198           199           200 
      1  -0.206128D+01 -0.728363D+00 -0.708426D+01  0.405906D+02  0.923129D+01
      2  -0.728363D+00  0.459796D+00 -0.536474D+00  0.923129D+01  0.778332D+01
      3  -0.708426D+01 -0.536474D+00 -0.120082D+01  0.159681D+01 -0.669949D+00
               201           202           203           204           205 
      1   0.159681D+01  0.146798D+02  0.252148D+01  0.644558D+00  0.174031D+01
      2  -0.669949D+00  0.252148D+01  0.542846D+01  0.283035D+00  0.983700D-01
      3   0.636019D+00  0.644558D+00  0.283035D+00  0.179893D+01  0.250760D+00
               206           207           208           209           210 
      1   0.983700D-01  0.250760D+00  0.101066D+02  0.338099D+01  0.415033D+00
      2   0.111938D+01  0.458121D+01  0.338099D+01  0.304443D+01 -0.108228D+00
      3   0.458121D+01 -0.105392D+01  0.415033D+00 -0.108228D+00 -0.337429D+00
               211           212           213           214           215 
      1  -0.259946D+01 -0.306867D+01  0.182628D+00  0.103972D+01  0.539185D+00
      2  -0.306867D+01  0.160861D+01 -0.427167D+00  0.539185D+00  0.236105D+00
      3   0.182628D+00 -0.427167D+00 -0.681478D+00 -0.994934D-01  0.761382D+00
               216           217           218           219           220 
      1  -0.994934D-01 -0.244227D+01 -0.406687D+01 -0.727247D-03 -0.359915D+01
      2   0.761382D+00 -0.406687D+01 -0.356948D+00 -0.579354D+00  0.292171D+01
      3  -0.138502D+00 -0.727247D-03 -0.579354D+00  0.861563D+00 -0.823903D+00
               221           222           223           224           225 
      1   0.292171D+01 -0.823903D+00 -0.237012D+00 -0.719339D+00  0.267827D+01
      2   0.127581D+01  0.113265D+01 -0.719339D+00  0.761447D+00  0.409157D+01
      3   0.113265D+01  0.551258D+01  0.267827D+01  0.409157D+01 -0.102079D+01
               226           227           228           229           230 
      1   0.309798D+00 -0.133455D+01  0.171490D+00 -0.423231D+00  0.785070D-01
      2  -0.133455D+01  0.147807D+01 -0.255101D+00  0.785070D-01 -0.100194D+02
      3   0.171490D+00 -0.255101D+00  0.150461D+00  0.191632D-01  0.104002D+01
               231           232           233           234           235 
      1   0.191632D-01  0.656374D-01 -0.115003D+00 -0.683586D-01 -0.657759D+01
      2   0.104002D+01 -0.115003D+00  0.120982D+01 -0.209470D+00 -0.347425D+01
      3  -0.100617D+01 -0.683586D-01 -0.209470D+00  0.132233D+00 -0.152679D+00
               236           237           238           239           240 
      1  -0.347425D+01 -0.152679D+00 -0.535577D+01 -0.412621D+01  0.133661D+00
      2  -0.264289D+01 -0.588127D-02 -0.412621D+01 -0.416378D+01  0.618794D-01
      3  -0.588127D-02 -0.370828D+00  0.133661D+00  0.618794D-01 -0.578297D+00
               241           242           243           244           245 
      1  -0.211590D-01  0.201335D+00  0.429416D+00 -0.654748D+00  0.213834D+01
      2   0.201335D+00  0.200368D+00 -0.118123D+00  0.213834D+01 -0.163544D+01
      3   0.429416D+00 -0.118123D+00  0.134646D+00 -0.238402D+00  0.306190D+00
               246           247           248           249           250 
      1  -0.238402D+00  0.260672D+01 -0.318489D+01  0.420924D+00 -0.294999D+00
      2   0.306190D+00 -0.318489D+01  0.864528D+01 -0.103272D+01  0.496855D+00
      3  -0.279993D+00  0.420924D+00 -0.103272D+01  0.108347D+01 -0.279834D+00
               251           252           253           254           255 
      1   0.496855D+00 -0.279834D+00 -0.698745D+00 -0.375159D+00  0.150646D+01
      2  -0.107689D+01  0.192181D+00 -0.375159D+00 -0.750068D-01  0.449522D+00
      3   0.192181D+00 -0.173009D+00  0.150646D+01  0.449522D+00 -0.405145D+00
               256           257           258           259           260 
      1  -0.210026D+01 -0.187231D+01  0.134638D+01  0.536987D+01  0.160152D+01
      2  -0.187231D+01 -0.194524D+01  0.145940D+01  0.160152D+01  0.173174D+01
      3   0.134638D+01  0.145940D+01 -0.242296D+01 -0.316519D+01 -0.224364D+01
               261           262           263           264           265 
      1  -0.316519D+01  0.969184D-01 -0.265874D+00 -0.993806D+00 -0.241154D+01
      2  -0.224364D+01 -0.265874D+00  0.115956D+00 -0.127408D+00 -0.219699D+01
      3   0.506122D+01 -0.993806D+00 -0.127408D+00  0.875322D-01 -0.143300D+01
               266           267           268           269           270 
      1  -0.219699D+01 -0.143300D+01 -0.405951D+01 -0.142639D+01 -0.270240D+01
      2  -0.314835D+01 -0.234223D+01 -0.142639D+01 -0.228527D+01 -0.270296D+01
      3  -0.234223D+01 -0.300041D+01 -0.270240D+01 -0.270296D+01 -0.434105D+01
               271           272           273           274           275 
      1  -0.125025D+02  0.315961D+01 -0.112090D+01  0.676109D+01 -0.256039D+01
      2   0.315961D+01 -0.146175D+01  0.295557D+00 -0.256039D+01  0.209934D+01
      3  -0.112090D+01  0.295557D+00 -0.118303D+01  0.612815D+00 -0.382568D+00
               276           277           278           279 
      1   0.612815D+00 -0.147328D+01  0.367707D+00 -0.169970D+01
      2  -0.382568D+00  0.367707D+00 -0.339283D+00  0.583304D-01
      3   0.513196D+00 -0.169970D+01  0.583304D-01 -0.400745D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.152444D+01 -0.374923D+01 -0.105169D+00 -0.327158D+01 -0.199184D+01
      2  -0.104268D+02  0.371902D+01 -0.612517D-01  0.141770D+02  0.313867D+01
      3  -0.102014D+02  0.446557D+02 -0.574780D+01  0.432496D+02  0.224380D+02
                 6             7             8             9            10 
      1  -0.379130D+00  0.405731D+01  0.764431D+01 -0.454574D+00 -0.172044D+01
      2   0.215541D+00 -0.208627D+02 -0.168867D+01 -0.157098D+01  0.122641D+02
      3   0.636023D-01 -0.183339D+01  0.193980D+01 -0.226298D+01  0.173775D+02
                11            12            13            14            15 
      1  -0.503306D+01  0.132157D+00 -0.385871D+01  0.600391D+00 -0.765381D-02
      2   0.725025D+01 -0.352359D+01 -0.810646D+01  0.919183D+00 -0.707519D+00
      3   0.539868D+02 -0.453586D+01  0.578385D+02  0.184786D+02  0.242878D+01
                16            17            18            19            20 
      1   0.232464D+01  0.706673D+01 -0.723527D+00 -0.258189D+01  0.586863D+00
      2  -0.193284D+02  0.143477D+00 -0.127149D+01  0.193715D+02 -0.717385D+00
      3  -0.193014D+01  0.287552D+01  0.124711D+01  0.260966D+02 -0.325504D+02
                21            22            23            24            25 
      1  -0.894613D+00  0.133618D+01 -0.222706D+01 -0.251275D+01  0.355207D+01
      2  -0.608817D+00  0.375636D+01  0.229563D+00 -0.200668D+01 -0.193548D+02
      3   0.542792D+01  0.893290D+01  0.352043D+01  0.603799D+00  0.204670D+01
                26            27            28            29            30 
      1  -0.114295D+01 -0.151856D+01 -0.180691D+01 -0.646876D+00  0.606857D-01
      2  -0.775184D+01  0.406096D+00 -0.163771D+02 -0.188040D+00  0.148720D+01
      3  -0.193713D+01  0.502130D+01 -0.817253D+00  0.676293D+01 -0.139805D+01
                31            32            33            34            35 
      1  -0.386249D+01  0.575069D+01  0.135858D+01  0.277542D+01  0.136625D+02
      2   0.268542D+01 -0.382272D+00  0.166844D+01 -0.134462D+02 -0.214437D+01
      3   0.280187D+02  0.655809D+01 -0.116312D+01  0.115248D+00  0.115923D+01
                36            37            38            39            40 
      1  -0.903630D+00 -0.150286D+01  0.176812D+01 -0.399548D+01 -0.473032D+00
      2  -0.183624D+01  0.232129D+01  0.608111D+00  0.227947D+01 -0.621149D+01
      3  -0.266480D+01  0.310808D+02  0.361687D+01  0.588714D+00 -0.108052D+02
                41            42            43            44            45 
      1  -0.202479D+01 -0.108860D+00 -0.160438D+02  0.932151D+01 -0.244962D+01
      2   0.755543D+00  0.528304D+00 -0.770180D+01  0.647716D+01 -0.141421D+01
      3   0.217429D+01  0.880449D+00  0.247127D+01  0.142070D+01  0.683655D+01
                46            47            48            49            50 
      1   0.404453D+01  0.139161D+01  0.350824D+01  0.223449D+01  0.117640D+01
      2  -0.305384D+01 -0.526399D+01  0.483208D+00 -0.347151D+01 -0.298819D+01
      3  -0.576726D+02 -0.373599D+02  0.929755D+00 -0.885032D+01 -0.237253D+02
                51            52            53            54            55 
      1  -0.260449D+01  0.674014D+01 -0.465264D+01  0.339154D+01  0.109012D+01
      2   0.751540D+00 -0.182934D+02  0.169781D+01 -0.194594D+01 -0.114918D+01
      3   0.724014D+00 -0.111912D+01 -0.143275D+01 -0.589438D+01 -0.302228D+02
                56            57            58            59            60 
      1   0.509829D+01  0.292189D+01 -0.356139D-01  0.969826D+00 -0.230311D+01
      2  -0.451431D+01 -0.404272D+01 -0.184274D+01 -0.879373D+00  0.326445D+01
      3  -0.370832D+02  0.365077D+01 -0.947706D+00 -0.265571D+02  0.123233D+01
                61            62            63            64            65 
      1   0.395701D+01 -0.436369D+01  0.123813D+01 -0.568143D+00 -0.528849D-02
      2  -0.226570D+02  0.675042D+01 -0.424389D+01  0.139342D+00  0.479335D+00
      3   0.133891D+01 -0.254833D+01 -0.102072D+02  0.771280D+00  0.461626D+00
                66            67            68            69            70 
      1   0.787208D+00  0.543963D+00 -0.190957D+01 -0.372070D+01  0.152706D+00
      2   0.129118D+00  0.955972D+00  0.179991D+00 -0.118504D+01 -0.144034D+01
      3   0.840240D-01  0.454956D+01  0.543938D+01 -0.660008D+00 -0.234462D+00
                71            72            73            74            75 
      1   0.254651D+01  0.484466D+00 -0.103320D+00  0.207608D+00 -0.262107D+01
      2   0.102781D+01 -0.849098D-02 -0.998881D+00 -0.686354D+00  0.226933D+01
      3  -0.691352D+00 -0.656399D+00  0.941582D+01  0.989594D-01  0.191383D+00
                76            77            78            79            80 
      1   0.966270D+00  0.937092D+00 -0.265150D+01  0.228515D+01  0.804795D+00
      2  -0.127952D+01 -0.918231D+00  0.256713D+01 -0.253251D+01  0.299863D+00
      3   0.256790D+01 -0.180886D+01  0.302201D-01  0.106535D+01  0.672327D-01
                81            82            83            84            85 
      1   0.453376D+00  0.704131D+00 -0.617651D+00  0.105546D+01 -0.309773D+00
      2  -0.426464D+00 -0.406230D+00  0.277795D-01  0.451399D+00  0.394652D+00
      3  -0.119048D+01 -0.445469D+01  0.217209D+01 -0.572161D+00  0.503701D+01
                86            87            88            89            90 
      1   0.250879D+01 -0.517870D+01 -0.131450D+01  0.185041D+01  0.301871D+00
      2  -0.373188D+00 -0.655551D+00 -0.388904D+00 -0.795271D+00  0.331022D+00
      3  -0.343797D+01  0.582165D+00 -0.105344D+01  0.104084D+01  0.108872D+01
                91            92            93            94            95 
      1  -0.164266D+01 -0.370860D+00 -0.107234D+01 -0.231670D+01  0.214268D+01
      2   0.119605D+02 -0.107498D+01 -0.729605D+01 -0.486045D+01 -0.274552D+01
      3   0.634673D+01 -0.594409D+01  0.180141D+01  0.856947D+01 -0.215267D+02
                96            97            98            99           100 
      1  -0.296340D+01 -0.445328D+01  0.304809D+01 -0.741722D+00  0.513206D+01
      2  -0.119610D+01 -0.345995D+02 -0.219478D+01  0.455662D+01  0.922451D+01
      3   0.466652D+01  0.411693D+01  0.315260D+01  0.587028D+01 -0.162304D+02
               101           102           103           104           105 
      1   0.529215D+00 -0.714494D-01 -0.175645D+01 -0.112666D+02 -0.360823D+01
      2  -0.296307D+01  0.213344D+02 -0.172971D+01  0.950119D+00  0.829789D+01
      3  -0.167584D+01 -0.259032D+01  0.367848D+01  0.238247D+02  0.589595D+00
               106           107           108           109           110 
      1   0.182556D+01  0.185033D+01  0.635522D+01  0.544123D+01  0.269862D+01
      2   0.157572D+02  0.685731D+01 -0.111210D+02 -0.151813D+02  0.652689D+00
      3  -0.441019D+01 -0.503452D+00 -0.874379D+01  0.263980D+01  0.146049D+02
               111           112           113           114           115 
      1   0.618444D+01  0.112932D+02 -0.483769D+00 -0.149586D+02  0.568992D+01
      2   0.163271D+01  0.386394D+01 -0.108103D+01 -0.585516D+01  0.104571D+02
      3  -0.294200D+00  0.184097D+02  0.120227D+02 -0.255844D+01  0.219430D+00
               116           117           118           119           120 
      1  -0.489384D+01 -0.249427D+00 -0.465277D+00  0.412084D+00  0.188438D+00
      2  -0.193328D+01 -0.113532D+00  0.131562D+01  0.428352D+00  0.290209D+01
      3  -0.220301D+01 -0.317266D+01  0.673796D+01 -0.133212D+01 -0.806600D-01
               121           122           123           124           125 
      1   0.752483D+00 -0.379514D+01 -0.225425D+01  0.223521D+00  0.708224D+00
      2   0.127371D+01  0.175979D+01 -0.495526D+01  0.205613D+01 -0.270808D+01
      3  -0.878734D+00  0.232440D+02 -0.302021D+01  0.554044D+00 -0.234201D+01
               126           127           128           129           130 
      1   0.379847D+00 -0.301968D+01  0.359901D+01 -0.172368D+00  0.320024D+01
      2   0.156286D+01 -0.104169D+02  0.191563D+01  0.646701D+01  0.162039D+01
      3   0.253813D+01  0.808181D+01 -0.864752D+01  0.142028D+01 -0.641349D+01
               131           132           133           134           135 
      1  -0.648427D+00 -0.339574D+00 -0.975056D+00  0.748514D+00 -0.973417D+00
      2  -0.117278D+01 -0.337825D+01  0.187082D+01 -0.109896D+01  0.928451D-01
      3   0.143938D+01 -0.154426D+01  0.114410D+01 -0.142014D+01  0.213937D+01
               136           137           138           139           140 
      1  -0.149432D+01 -0.242981D+01  0.664823D+00 -0.778627D+00 -0.686257D+00
      2   0.754909D+01  0.181746D+01 -0.140823D+02  0.161909D+01  0.420203D+01
      3   0.209402D+01  0.179540D+01 -0.787195D+00  0.144618D+01  0.432994D+00
               141           142           143           144           145 
      1   0.124660D+01  0.415988D-01  0.409260D+01 -0.261035D+01  0.221819D+01
      2  -0.694967D+01 -0.675197D+01 -0.367538D+01  0.298486D+02 -0.827492D+00
      3  -0.396667D+01  0.502080D+00 -0.326071D+01  0.361714D+01 -0.359586D+01
               146           147           148           149           150 
      1   0.764970D+00  0.240075D+00  0.121590D+01  0.139236D+02 -0.102456D+01
      2  -0.112599D+01 -0.111109D+01 -0.733700D+00  0.218092D+01  0.575578D+01
      3  -0.159425D+01 -0.453081D+00 -0.804777D+00 -0.273775D+02 -0.361962D+01
               151           152           153           154           155 
      1   0.364152D+00  0.659234D+00  0.124397D+01 -0.445147D+01 -0.303796D+01
      2  -0.123235D+01  0.201894D+01  0.117111D+01  0.765551D+01  0.114302D+01
      3  -0.135260D+01  0.419478D+00 -0.262247D+01 -0.130518D+02 -0.231079D+02
               156           157           158           159           160 
      1  -0.227695D+01 -0.785146D+01 -0.242573D+01  0.356220D+00 -0.370624D+00
      2   0.227458D+02 -0.361416D+01  0.169087D+01  0.746622D+01  0.799357D+01
      3   0.918776D-01 -0.167672D+02 -0.141666D+02  0.186796D+01  0.114363D+01
               161           162           163           164           165 
      1   0.343499D+01 -0.900375D+00 -0.626335D+01 -0.150704D+01 -0.676518D-01
      2   0.286914D+01  0.859334D+00  0.102173D+02  0.274715D+01  0.106919D+01
      3   0.224533D+01 -0.335017D+01 -0.884885D+01 -0.392419D+01  0.679630D+00
               166           167           168           169           170 
      1  -0.438981D+01  0.162024D+01  0.404937D+01  0.204094D+01  0.792426D+01
      2   0.348127D+01 -0.568493D+01  0.701434D+00 -0.807490D+01 -0.292468D+01
      3  -0.148779D+01  0.214594D+01  0.696397D+01 -0.200830D+00  0.322939D+01
               171           172           173           174           175 
      1  -0.338247D+01  0.577081D+01  0.143265D+01 -0.218791D+01  0.478521D+01
      2  -0.249378D+02 -0.208636D+02 -0.273153D+01 -0.572091D+01 -0.356357D+01
      3   0.372975D+01  0.940943D+01  0.224395D+01  0.815268D-01  0.568028D+01
               176           177           178           179           180 
      1  -0.507542D+00 -0.218700D+01 -0.257591D+01 -0.398922D+00  0.100723D+01
      2  -0.269576D+01 -0.163358D+01 -0.348736D+00 -0.223300D+00 -0.272772D+01
      3   0.976223D+00  0.120857D+01 -0.300274D+01 -0.434892D+00  0.142155D+01
               181           182           183           184           185 
      1   0.473921D+00 -0.371454D+01 -0.382272D+01 -0.487629D+00  0.145758D+01
      2   0.266842D+01  0.771538D+00  0.732200D+01  0.136782D+01  0.221579D+01
      3   0.155527D+02  0.685919D+01 -0.789043D+00 -0.131370D+02  0.711654D+01
               186           187           188           189           190 
      1  -0.134674D+01 -0.129698D+02  0.744129D+01 -0.249875D+01 -0.196599D+01
      2   0.189556D+01 -0.122321D+01  0.109786D+02  0.201380D+00  0.113319D+02
      3  -0.173614D+01  0.151942D+01 -0.698946D+00  0.918542D+00  0.203552D+02
               191           192           193           194           195 
      1  -0.495093D+01  0.117147D+01 -0.408662D+01 -0.125912D+01  0.233540D+01
      2   0.386807D+01 -0.916208D+00  0.498750D+01  0.152762D+01  0.394415D+00
      3   0.226909D+02 -0.606570D+00  0.416258D+02  0.620873D+01  0.241763D+01
               196           197           198           199           200 
      1   0.580847D+00  0.131464D+02 -0.147926D+01  0.236779D+00  0.494877D+01
      2   0.216902D+01 -0.389026D+01  0.193409D+01 -0.849754D+01 -0.562192D+01
      3  -0.300591D+01  0.291143D+01 -0.125811D+01  0.292647D+01 -0.445091D+02
               201           202           203           204           205 
      1  -0.666255D+00  0.141316D+01  0.170635D+01 -0.235794D+01  0.510448D+01
      2   0.260340D+01 -0.574140D+01 -0.382971D+01 -0.305511D+01 -0.201598D+02
      3   0.392571D+01 -0.462863D+01 -0.945328D+01  0.174501D+01  0.227641D+01
               206           207           208           209           210 
      1   0.100129D+01  0.774668D+00  0.145854D+01  0.396203D+01 -0.118502D+01
      2  -0.167158D+02  0.163914D+01 -0.400359D+01 -0.343890D+01  0.142464D+02
      3   0.158581D+00  0.920891D+01 -0.878350D+01 -0.396503D+02  0.165379D+01
               211           212           213           214           215 
      1  -0.576438D+00 -0.147979D+01 -0.407414D+01 -0.235685D+01 -0.115664D+01
      2  -0.188171D+00  0.249604D+01  0.310842D+01 -0.540441D+01 -0.199989D+01
      3   0.395798D+00  0.150692D+02 -0.181783D+01 -0.630356D+00 -0.458347D+01
               216           217           218           219           220 
      1   0.224387D+00  0.628267D+00 -0.149739D+01  0.129926D+01 -0.842722D+00
      2   0.983713D+00 -0.135055D+00  0.405424D+01 -0.611634D+01  0.457609D+01
      3   0.353747D+01 -0.273129D+02  0.136794D+02 -0.531802D+01  0.280109D+02
               221           222           223           224           225 
      1  -0.543437D+00  0.232542D+01  0.977350D+01  0.453134D+01 -0.134990D+01
      2  -0.537327D+01 -0.352499D+02 -0.214882D+02 -0.267031D+02  0.696507D+01
      3   0.196015D+02  0.718689D+01 -0.458684D+01  0.549968D+01  0.271329D+02
               226           227           228           229           230 
      1   0.146097D+00 -0.144780D+00  0.949464D+00  0.901407D-02 -0.657826D+00
      2  -0.751772D+00  0.793599D+00  0.340618D-01  0.452400D+00 -0.209981D+01
      3  -0.612169D+01  0.428050D+01 -0.937353D+00  0.417212D+01 -0.201200D+02
               231           232           233           234           235 
      1  -0.459656D+01 -0.331179D+00  0.272561D+01  0.227638D+00 -0.862177D+00
      2   0.118232D+01  0.104699D+00 -0.270286D+00  0.389030D-01  0.181130D+01
      3   0.220206D+01 -0.106515D+01  0.298602D+01  0.244701D+00  0.174725D+01
               236           237           238           239           240 
      1  -0.400404D+00 -0.183553D+01 -0.657620D-01 -0.134123D+00 -0.231344D+01
      2   0.442891D+00  0.228899D+01  0.809032D-01  0.104787D+00  0.318683D+01
      3  -0.486433D+01  0.403523D+00 -0.425124D+01 -0.107080D+02  0.185645D+00
               241           242           243           244           245 
      1   0.230203D+01  0.776562D+00  0.259941D+00  0.895006D-01 -0.229182D+00
      2  -0.294654D+01  0.123864D+00 -0.642373D+00  0.570710D+00 -0.645921D+00
      3   0.110576D+01  0.684891D+00 -0.115549D+01  0.371294D+01 -0.233851D+01
               246           247           248           249           250 
      1   0.969234D+00 -0.298559D+00  0.560215D-01 -0.400546D+01 -0.106464D+00
      2   0.108882D+01 -0.645996D+00  0.259876D+01 -0.338044D+01 -0.149674D+01
      3   0.504508D+00 -0.150240D+01  0.205324D+02 -0.224317D+01  0.691912D+00
               251           252           253           254           255 
      1   0.180252D+01  0.357950D+00 -0.275183D+00  0.195450D+00 -0.112183D+00
      2   0.375022D-01  0.310271D+00 -0.968963D+01 -0.263280D+01  0.321733D+01
      3  -0.238685D+01  0.683663D-01 -0.368880D+01 -0.246638D+01  0.243696D+01
               256           257           258           259           260 
      1   0.111037D+01  0.737635D+00 -0.253685D+01 -0.276008D+01  0.876433D+00
      2  -0.676281D+01 -0.892743D+01  0.152157D+02  0.157758D+02  0.144040D+02
      3  -0.102739D+02 -0.156907D+02  0.931959D+01  0.825154D+01  0.131663D+02
               261           262           263           264           265 
      1   0.390241D+01  0.815655D+00 -0.417617D-01  0.612288D+00 -0.144080D+00
      2  -0.310395D+02  0.649075D+01  0.187295D+00 -0.106929D+00  0.556677D+01
      3  -0.147246D+02 -0.260131D+01 -0.900962D+00 -0.163916D+00 -0.118676D+02
               266           267           268           269           270 
      1   0.112784D+01 -0.212025D+01 -0.136902D+01  0.176403D+01 -0.233376D+01
      2   0.124900D+02  0.176425D+02  0.115236D+02  0.159035D+02  0.244806D+02
      3  -0.233492D+02 -0.142273D+02 -0.678773D+01 -0.159390D+02 -0.169833D+02
               271           272           273           274           275 
      1  -0.105059D+01  0.781463D+00  0.341559D+00  0.724004D+00 -0.761476D+00
      2   0.370860D+01 -0.121390D+01  0.896154D+01 -0.210764D+01  0.171179D+01
      3   0.219796D+02 -0.132793D+02  0.231568D+01 -0.160079D+02  0.139758D+02
               276           277           278           279 
      1  -0.945093D+00 -0.886654D+00  0.499047D+00  0.534567D-01
      2  -0.363418D+01  0.846529D+01 -0.149231D+00  0.209602D+01
      3  -0.252004D+01  0.265017D+01 -0.257502D+01  0.266168D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.914439D+02 -0.421714D+02 -0.986444D+00  0.934391D+02 -0.828180D+01
      2   0.468387D+02  0.243122D+02  0.763808D+00 -0.422297D+02  0.110052D+02
      3   0.446052D+02  0.178591D+02  0.222636D+00 -0.512094D+02 -0.272339D+01
      4  -0.338079D+02  0.501394D+01 -0.258154D+01 -0.338793D+01  0.921254D+01
      5   0.272912D+01 -0.223535D+01  0.408256D+00 -0.437687D+01 -0.323556D+01
      6   0.239639D+00  0.155414D+01  0.304238D+00 -0.397710D+01 -0.305691D+01
                 6             7             8             9            10 
      1   0.646999D+01 -0.180488D+02 -0.341763D+01 -0.119378D+02  0.622533D+02
      2  -0.444817D+01  0.793197D+01  0.129084D+01 -0.101818D+01 -0.165278D+02
      3  -0.202182D+01  0.101169D+02  0.212678D+01  0.129560D+02 -0.457256D+02
      4  -0.137176D+01 -0.224001D+01 -0.508296D+00  0.230487D+00 -0.119820D+00
      5  -0.447878D+00  0.162604D+01  0.173827D+01 -0.154071D+01  0.126002D+01
      6   0.189268D+00 -0.263370D+01  0.296886D+01  0.489459D+00 -0.593277D+01
                11            12            13            14            15 
      1  -0.116639D+02  0.690446D+01 -0.113930D+03 -0.223345D+02 -0.669794D+01
      2   0.100151D+02 -0.213680D+01  0.512093D+02  0.188131D+02  0.127533D+01
      3   0.164887D+01 -0.476765D+01  0.627205D+02  0.352134D+01  0.542261D+01
      4   0.394963D+00 -0.565234D+00 -0.179875D+02 -0.136131D+02  0.178512D+00
      5  -0.293401D+01 -0.657220D+01  0.587382D+01  0.214765D+01 -0.168311D+00
      6  -0.111079D+01 -0.656001D+00  0.246496D+01  0.515894D+00 -0.370388D+00
                16            17            18            19            20 
      1   0.181310D+02  0.649327D+00 -0.711167D+01  0.643260D+02  0.435040D+02
      2  -0.650790D+01 -0.114598D+01 -0.220407D+01 -0.284355D+02 -0.278660D+02
      3  -0.116231D+02  0.496656D+00  0.931574D+01 -0.358905D+02 -0.156380D+02
      4   0.218805D+01  0.872307D+00 -0.197939D+01  0.357072D+02 -0.964214D+01
      5  -0.451054D+00 -0.194111D+01 -0.172379D+01 -0.661105D+01  0.161542D+01
      6  -0.198719D+01  0.278951D+01  0.143495D+01 -0.284735D+01 -0.494394D+01
                21            22            23            24            25 
      1   0.311499D+01 -0.123049D+02  0.193623D+02 -0.183848D+01  0.810268D+01
      2  -0.677615D+00  0.194509D+02 -0.247535D+02  0.446440D+01 -0.460029D+01
      3  -0.243738D+01 -0.714601D+01  0.539123D+01 -0.262592D+01 -0.350238D+01
      4   0.268494D+01  0.146856D+02  0.141892D+01 -0.140652D+01  0.360978D+01
      5  -0.551007D+01 -0.198779D+01 -0.274324D+01 -0.687241D+01  0.856940D+01
      6   0.105306D+01 -0.419623D+01  0.396790D+01  0.459306D+01 -0.124850D+01
                26            27            28            29            30 
      1   0.437928D+01 -0.135224D+02  0.231200D+01 -0.159565D+01 -0.347982D+01
      2   0.344723D+01 -0.299040D+00 -0.211489D+02  0.157662D+01  0.277050D+00
      3  -0.782651D+01  0.138215D+02  0.188369D+02  0.190306D-01  0.320277D+01
      4  -0.314183D+01 -0.489055D+01 -0.191767D+02  0.106345D+02 -0.378270D+00
      5  -0.898000D+01 -0.704421D+00  0.103051D+02  0.210419D+01  0.922515D+01
      6   0.130870D+02 -0.283777D+01  0.604078D+01  0.270136D+01 -0.234832D+01
                31            32            33            34            35 
      1  -0.492214D+02 -0.571809D+02  0.494164D+01 -0.169442D+01  0.412194D+01
      2   0.398640D+02  0.500046D+02 -0.589166D+01 -0.429247D+01 -0.523771D+01
      3   0.935744D+01  0.717626D+01  0.950022D+00  0.598690D+01  0.111577D+01
      4  -0.317093D+02  0.326071D+01 -0.174362D+01  0.550346D+01 -0.518702D+00
      5   0.541508D+01 -0.130415D+01  0.325413D+01  0.316243D+02  0.448569D+01
      6  -0.492260D+01  0.179286D+01 -0.328499D+01 -0.395367D+01  0.263861D+01
                36            37            38            39            40 
      1  -0.791984D+00 -0.183083D+02 -0.554256D+02  0.278729D+01  0.387478D+02
      2  -0.102695D+02  0.101895D+02  0.429640D+02 -0.200910D+01 -0.400018D+02
      3   0.110615D+02  0.811883D+01  0.124617D+02 -0.778190D+00  0.125396D+01
      4  -0.194926D+01 -0.104449D+02 -0.398048D+01 -0.769449D+00  0.108014D+02
      5   0.135516D+01  0.184432D+01 -0.379669D+01  0.631908D+01  0.323083D+01
      6   0.202051D+01 -0.356446D+01  0.258918D+01  0.695744D+01  0.873097D+01
                41            42            43            44            45 
      1   0.354127D+02 -0.401499D+01 -0.856950D+01 -0.116609D+02 -0.893150D+01
      2  -0.327288D+02  0.161282D+01  0.732695D+01  0.823927D+01 -0.124588D+01
      3  -0.268383D+01  0.240217D+01  0.124254D+01  0.342163D+01  0.101774D+02
      4  -0.155386D+02  0.384748D+01 -0.245074D+01  0.264040D+01  0.906503D+01
      5   0.531908D+01  0.493772D+01  0.175238D+02  0.508093D+01  0.599423D+00
      6  -0.104952D+01  0.212248D+01  0.190565D+02  0.764265D+01  0.520179D+01
                46            47            48            49            50 
      1   0.309964D+02  0.412753D+02  0.102174D+01 -0.810576D+01  0.220631D+01
      2  -0.245311D+02 -0.326571D+02 -0.262248D+00  0.559702D+01 -0.124090D+02
      3  -0.646537D+01 -0.861818D+01 -0.759492D+00  0.250874D+01  0.102027D+02
      4   0.375040D+01 -0.692319D+01  0.120175D+01  0.776060D+01  0.879215D+01
      5  -0.452500D+01  0.379703D+01 -0.156862D+01 -0.134641D+00 -0.478042D+00
      6   0.415202D+01 -0.495728D+01 -0.458550D+01  0.532516D-01  0.707815D+01
                51            52            53            54            55 
      1  -0.379102D+01  0.584305D+01 -0.107756D+01 -0.217685D+02  0.219306D+02
      2   0.404060D+01 -0.496957D+01  0.415232D+01  0.110444D+02 -0.192099D+02
      3  -0.249583D+00 -0.873477D+00 -0.307477D+01  0.107241D+02 -0.272069D+01
      4  -0.973711D+00  0.257022D+00 -0.417604D+01 -0.257409D+01  0.252380D+02
      5  -0.121226D+00  0.348575D+01  0.859739D+00 -0.239485D+01  0.237816D+01
      6   0.623156D+01 -0.427439D+01  0.227312D+02 -0.243369D+01  0.295159D+01
                56            57            58            59            60 
      1   0.527586D+02 -0.158040D+01  0.731704D+01  0.214573D+02 -0.443640D+01
      2  -0.352775D+02  0.208336D+00 -0.116861D+01 -0.215397D+02  0.513941D+01
      3  -0.174811D+02  0.137207D+01 -0.614843D+01  0.824005D-01 -0.703015D+00
      4  -0.408206D+02  0.461736D+01  0.271728D+02  0.152785D+02  0.162975D+01
      5   0.579246D+01 -0.954678D+01 -0.274292D+01  0.966260D+00  0.456514D+01
      6  -0.137291D+01 -0.520122D+01 -0.275979D+00  0.572445D+01  0.542329D+01
                61            62            63            64            65 
      1   0.240898D+01 -0.159224D+01 -0.208649D+02 -0.125662D+01  0.282116D+01
      2  -0.214235D+01  0.694898D+01  0.894682D+01  0.396439D+01 -0.409050D+01
      3  -0.266634D+00 -0.535675D+01  0.119181D+02 -0.270777D+01  0.126934D+01
      4  -0.207447D+01 -0.372255D+01  0.135039D+02 -0.498441D+01  0.945054D+01
      5   0.133488D+01  0.164511D+02 -0.690807D+01  0.107795D+01 -0.169737D+01
      6   0.880129D+00  0.220972D+02 -0.436173D+01 -0.185344D+01  0.168815D+01
                66            67            68            69            70 
      1  -0.397037D+00  0.708666D+01 -0.313739D+02  0.476262D+01 -0.215366D+00
      2   0.295215D+00 -0.980443D+01  0.381323D+02 -0.360727D+01  0.389786D+00
      3   0.101823D+00  0.271776D+01 -0.675848D+01 -0.115535D+01 -0.174420D+00
      4  -0.132004D+01  0.101653D+02 -0.179454D+02  0.232713D+01 -0.153201D+01
      5   0.138495D+01 -0.186060D+01  0.155727D+01 -0.215026D+01  0.278749D+00
      6  -0.105860D+01  0.284129D+01 -0.951685D+01  0.694571D+01 -0.191382D+01
                71            72            73            74            75 
      1   0.340160D+01 -0.336742D+01  0.911646D+01 -0.500692D+00 -0.329353D+00
      2  -0.376740D+01  0.352767D+01  0.172910D+01  0.769264D+01 -0.460804D-01
      3   0.365803D+00 -0.160247D+00 -0.108456D+02 -0.719195D+01  0.375433D+00
      4   0.271929D+01 -0.871913D+00  0.257877D+02  0.189834D+02  0.344218D-01
      5   0.101170D+00  0.590204D+00  0.114303D+01  0.480022D+00  0.419264D+01
      6   0.321608D+01 -0.193200D+01  0.164818D+01  0.947993D+00  0.268912D+01
                76            77            78            79            80 
      1  -0.209437D+01 -0.860538D+01  0.171419D+00  0.706750D+00  0.890493D+00
      2   0.117868D+02  0.181459D+02 -0.399423D+00 -0.101472D+01 -0.128440D+01
      3  -0.969243D+01 -0.954049D+01  0.228004D+00  0.307974D+00  0.393908D+00
      4   0.248832D+02  0.249846D+02 -0.310445D+00 -0.126187D+01 -0.153781D+01
      5   0.613864D+00 -0.551910D-01  0.375498D+01 -0.968702D+00  0.187905D+01
      6   0.871753D+00  0.147268D+01  0.426350D+01 -0.119690D+01  0.202836D+01
                81            82            83            84            85 
      1   0.132032D+00 -0.428292D+01  0.656807D+01 -0.115423D+01  0.287188D+01
      2   0.822622D+00  0.649420D+01 -0.893060D+01  0.105673D+01 -0.352500D+01
      3  -0.954654D+00 -0.221127D+01  0.236253D+01  0.974980D-01  0.653115D+00
      4   0.200962D+01 -0.275739D+01  0.108231D+02 -0.924137D+00  0.641101D+01
      5  -0.893986D+00 -0.371203D+00 -0.815668D-01  0.163015D+01 -0.166228D+00
      6  -0.675736D+00 -0.495282D+00  0.110189D+01 -0.144362D+01  0.115196D+00
                86            87            88            89            90 
      1  -0.517375D+02  0.509079D+01 -0.116310D+01  0.642284D+01 -0.274512D+01
      2   0.687610D+02 -0.563057D+01  0.120942D+01 -0.772459D+01  0.312159D+01
      3  -0.170234D+02  0.539784D+00 -0.463228D-01  0.130175D+01 -0.376474D+00
      4  -0.859624D+01  0.509701D+00 -0.751726D+00  0.149221D+01 -0.138884D+01
      5  -0.175546D+01 -0.474749D+00  0.873562D+00 -0.931882D+00  0.466312D+00
      6  -0.429910D+01  0.810650D+01  0.742932D+00  0.358492D+01 -0.165623D+01
                91            92            93            94            95 
      1  -0.108337D+02 -0.575000D+01  0.915812D+01 -0.728998D+01  0.146097D+02
      2   0.181327D+02  0.579976D+01  0.968925D+00  0.102903D+02 -0.194138D+02
      3  -0.729903D+01 -0.497618D-01 -0.101270D+02 -0.300035D+01  0.480408D+01
      4  -0.244835D+01  0.149706D+01 -0.429368D+01 -0.224287D+01  0.370007D+02
      5  -0.792834D+00 -0.571002D+01 -0.225558D+02 -0.193880D+02 -0.490296D+01
      6  -0.533899D+01 -0.191184D+01 -0.713277D+00 -0.239577D-01  0.915893D+01
                96            97            98            99           100 
      1  -0.115908D+02  0.464959D+01 -0.558409D+01 -0.236870D+02 -0.584060D+02
      2   0.131156D+02  0.406140D+01  0.541382D+01  0.173045D+02  0.322174D+02
      3  -0.152477D+01 -0.871099D+01  0.170277D+00  0.638248D+01  0.261887D+02
      4  -0.465661D+01 -0.104764D+02 -0.417976D+01 -0.375688D+01  0.257047D+02
      5  -0.473818D+01 -0.571551D+02 -0.666787D+01 -0.360141D+01 -0.321378D+02
      6  -0.131815D+01 -0.345439D+00 -0.719734D+00 -0.442000D+01  0.124336D+02
               101           102           103           104           105 
      1   0.187541D+02 -0.309020D+02  0.335440D+02  0.798286D+00 -0.257798D+00
      2  -0.985408D+01  0.135736D+01 -0.250212D+02 -0.700791D+01 -0.104448D+02
      3  -0.890000D+01  0.295446D+02 -0.852284D+01  0.620962D+01  0.107026D+02
      4  -0.125395D+01  0.362528D+01 -0.427958D+01 -0.394494D+02 -0.164028D+01
      5   0.840154D+01  0.186567D+02  0.225787D+02 -0.456408D+00  0.172990D+02
      6  -0.136187D+00  0.486986D+00 -0.144514D+00 -0.171782D+02  0.103214D+00
               106           107           108           109           110 
      1  -0.632274D+01 -0.282960D+01  0.365818D+02 -0.103870D+03 -0.139298D+02
      2  -0.131209D+02 -0.483217D+01 -0.114193D+02  0.469072D+02  0.246010D+01
      3   0.194436D+02  0.766177D+01 -0.251625D+02  0.569626D+02  0.114697D+02
      4   0.587198D+01  0.198748D+01  0.142853D+02 -0.211167D+02 -0.183473D+02
      5   0.402307D+02  0.139947D+02  0.128282D+02  0.183780D+02  0.752845D+01
      6   0.387316D+01  0.174906D+01  0.111647D+02  0.636235D+01  0.139689D+01
               111           112           113           114           115 
      1   0.901617D+01 -0.255322D+02 -0.115720D+02  0.697691D+01 -0.198638D+02
      2  -0.425124D+01  0.738518D+01  0.112799D+02 -0.329312D+01  0.153900D+02
      3  -0.476494D+01  0.181470D+02  0.292106D+00 -0.368379D+01  0.447387D+01
      4   0.504892D+01  0.773743D+00 -0.175495D+02  0.345868D+00  0.628847D+01
      5  -0.695498D+01  0.137341D+02  0.220503D+01 -0.335245D+01  0.240726D+02
      6  -0.307283D+01  0.263752D+01  0.976133D+00  0.729787D+00  0.919584D+00
               116           117           118           119           120 
      1   0.597653D+01  0.249671D+02 -0.726928D+01 -0.630676D+01 -0.529796D+00
      2  -0.291820D+01 -0.576244D+01  0.848186D+01  0.252484D+01  0.200127D+00
      3  -0.305833D+01 -0.192047D+02 -0.121258D+01  0.378192D+01  0.329669D+00
      4  -0.386446D+00  0.217161D+01 -0.862446D+01  0.700388D+01 -0.696659D+00
      5   0.306450D+01 -0.658930D+01  0.350967D+00 -0.114501D+01  0.675957D+01
      6  -0.494550D+01 -0.347618D+01 -0.236254D+01  0.702504D+00 -0.185122D+00
               121           122           123           124           125 
      1  -0.920806D+01 -0.174301D+02  0.557527D+01 -0.151670D+01  0.218231D+01
      2   0.601404D+00  0.291672D+02 -0.433407D+01  0.109707D+01 -0.785738D+00
      3   0.860666D+01 -0.117371D+02 -0.124120D+01  0.419629D+00 -0.139657D+01
      4   0.157192D+02 -0.451370D+02  0.559057D+01 -0.632512D+00  0.434271D+01
      5  -0.102610D+01  0.534431D+01 -0.113135D+02  0.894883D+01 -0.577378D+01
      6   0.209517D+01 -0.105061D+02  0.620493D+01 -0.182315D+01  0.624247D+01
               126           127           128           129           130 
      1  -0.585921D+00  0.103195D+03 -0.132168D+02  0.197670D+02 -0.242588D+02
      2   0.456299D+00 -0.618017D+02  0.675054D+01 -0.169813D+02  0.140815D+02
      3   0.129623D+00 -0.413938D+02  0.646622D+01 -0.278578D+01  0.101773D+02
      4  -0.613234D+01 -0.195975D+02  0.154977D+02 -0.384223D+01  0.195657D+02
      5   0.471063D+01  0.587647D+02 -0.648515D+01  0.279538D+02 -0.168642D+02
      6  -0.240586D+01 -0.766371D+01  0.615669D+01 -0.194177D+01  0.720130D+01
               131           132           133           134           135 
      1   0.109232D+02 -0.355902D+01  0.963855D+01 -0.598167D+00  0.659046D+01
      2  -0.413958D+01  0.523893D+01 -0.895424D+01  0.174106D+01 -0.739115D+01
      3  -0.678360D+01 -0.167991D+01 -0.684306D+00 -0.114289D+01  0.800684D+00
      4  -0.531981D+01  0.451286D+01 -0.252481D+01  0.160328D+01 -0.439051D+01
      5   0.668500D+01 -0.106106D+02  0.170483D+02 -0.450527D+01  0.834830D+01
      6  -0.179996D+01  0.302065D+01 -0.229941D+01  0.137503D+01 -0.197846D+01
               136           137           138           139           140 
      1  -0.689427D+01 -0.462853D+01  0.228632D+02 -0.679687D+01 -0.695391D+01
      2  -0.472983D+00  0.136372D+01  0.233678D+01  0.453884D+01  0.134017D+01
      3   0.736725D+01  0.326481D+01 -0.252000D+02  0.225803D+01  0.561374D+01
      4  -0.336495D+01 -0.314211D+01  0.131917D+01  0.141224D+01 -0.616119D+00
      5   0.689853D+00 -0.814213D+00 -0.124030D+02 -0.508181D+01  0.516736D+01
      6  -0.237511D+01 -0.374263D+01  0.239321D+01 -0.207262D+00 -0.280032D+01
               141           142           143           144           145 
      1   0.747245D+01  0.107947D+02  0.409496D+01 -0.398274D+02  0.974770D+01
      2   0.300269D+01 -0.362860D+01  0.156892D+01 -0.140206D+02 -0.332196D+01
      3  -0.104751D+02 -0.716609D+01 -0.566388D+01  0.538480D+02 -0.642574D+01
      4   0.709978D+01 -0.422349D+00  0.660628D+01 -0.717394D+01  0.635594D+01
      5  -0.110653D+02  0.529271D+01 -0.492222D+01  0.393916D+02  0.501637D+01
      6   0.865281D+01 -0.257144D+00  0.728745D+01 -0.711506D+01  0.212759D+01
               146           147           148           149           150 
      1   0.541647D+01  0.444949D+01  0.119852D+02 -0.463665D+01 -0.172516D+01
      2  -0.198641D+01 -0.664810D+00 -0.600970D+01  0.139520D+02 -0.289435D+01
      3  -0.343006D+01 -0.378468D+01 -0.597548D+01 -0.931538D+01  0.461951D+01
      4   0.701123D+01  0.629405D+00  0.150393D+02  0.503961D+02  0.912238D+01
      5   0.214649D+01 -0.256837D+00  0.113510D+02  0.941112D+01  0.139130D+02
      6   0.184903D+01  0.145745D+00  0.571991D+01  0.240864D+02  0.828455D+01
               151           152           153           154           155 
      1  -0.556790D+00 -0.151144D+01 -0.516769D+01  0.203095D+03  0.221091D+02
      2   0.122532D+01 -0.999630D+00  0.171623D+01 -0.977330D+02 -0.844499D+01
      3  -0.668534D+00  0.251107D+01  0.345147D+01 -0.105362D+03 -0.136641D+02
      4   0.387837D+00  0.604653D+00  0.450629D+01  0.224004D+02  0.363737D+02
      5  -0.613552D+00  0.446282D+01  0.208604D+00 -0.379964D+02 -0.468668D+01
      6   0.952818D+00  0.443743D+01  0.183168D+01 -0.498591D+01 -0.512839D+01
               156           157           158           159           160 
      1  -0.968931D+01  0.336373D+02  0.336164D+02 -0.251186D+01 -0.117635D+02
      2   0.981600D+01 -0.147340D+02 -0.124754D+02  0.251453D+01  0.104319D+02
      3  -0.126690D+00 -0.189033D+02 -0.211411D+02 -0.266346D-02  0.133160D+01
      4  -0.176825D+01  0.473666D+02  0.255283D+02 -0.372180D+01 -0.320638D+01
      5   0.391071D+02 -0.960786D+01 -0.827451D+01  0.100914D+02  0.371248D+02
      6  -0.200545D+00 -0.925577D+01 -0.486842D+01  0.517246D+01  0.204949D+01
               161           162           163           164           165 
      1  -0.173233D+01  0.207146D+02  0.503650D+02  0.415983D+01 -0.157209D+02
      2   0.141616D+01 -0.150960D+02 -0.357081D+02 -0.128512D+01  0.976666D+01
      3   0.316171D+00 -0.561856D+01 -0.146569D+02 -0.287471D+01  0.595424D+01
      4  -0.261524D+01  0.484500D+01 -0.146550D+01  0.720608D+01  0.373574D+01
      5   0.662552D+01 -0.731581D+01 -0.342061D+02  0.159561D+01  0.184309D+02
      6   0.478787D+01 -0.161208D+01  0.710357D+00 -0.125080D+01 -0.126249D+01
               166           167           168           169           170 
      1   0.124138D+02 -0.841451D+01 -0.351898D+01  0.179943D+01 -0.318335D+01
      2  -0.660662D+01  0.315979D+01  0.239598D+01  0.143648D+01  0.773115D+00
      3  -0.580719D+01  0.525472D+01  0.112299D+01 -0.323591D+01  0.241023D+01
      4   0.398578D+01 -0.457956D+01 -0.111738D+02  0.505664D+01 -0.659531D+01
      5  -0.433434D+01 -0.107598D+02 -0.397600D+00  0.150594D+02 -0.683009D+01
      6  -0.114714D+01  0.444108D+01  0.119708D+02 -0.351990D+01  0.121683D+02
               171           172           173           174           175 
      1  -0.338696D+02 -0.492893D+02 -0.573961D+01 -0.564883D+01 -0.922092D+01
      2  -0.108351D+02  0.314607D+02  0.272292D+01 -0.499099D+01  0.558881D+01
      3   0.447047D+02  0.178285D+02  0.301669D+01  0.106398D+02  0.363210D+01
      4  -0.833031D+01  0.215949D+01 -0.462451D+01 -0.305817D+01  0.537705D+00
      5  -0.433436D+02  0.267207D+02 -0.158967D+01 -0.155774D+02  0.286128D+01
      6   0.982112D+01  0.811294D-02  0.410809D+01  0.408929D+01  0.665218D+00
               176           177           178           179           180 
      1  -0.608198D+01 -0.223280D+01  0.985126D+01 -0.675412D+00 -0.890887D+01
      2   0.412207D+01  0.675708D+00 -0.114993D+02  0.304290D+00  0.477682D+01
      3   0.195991D+01  0.155709D+01  0.164808D+01  0.371121D+00  0.413205D+01
      4  -0.214151D+01 -0.312117D+01 -0.177837D+01  0.684172D+00  0.776044D+00
      5  -0.214946D+01 -0.233993D+01 -0.111683D+02  0.536552D+00  0.316109D+01
      6   0.237713D+01  0.350627D+01  0.297695D+01  0.782902D+00  0.100351D+00
               181           182           183           184           185 
      1   0.535252D+00 -0.519765D+02  0.362452D+01  0.951836D+02  0.261909D+02
      2   0.236390D+01  0.374196D+02 -0.991427D+00 -0.655515D+02 -0.229389D+02
      3  -0.289915D+01  0.145569D+02 -0.263309D+01 -0.296321D+02 -0.325195D+01
      4  -0.165050D+02  0.442776D+02 -0.680907D+01  0.153039D+02 -0.392324D+02
      5  -0.502467D+01 -0.885444D+01  0.159035D+02  0.632543D+01  0.748438D+01
      6  -0.386803D+01 -0.314851D+01  0.781850D+01  0.627893D+01  0.288055D+01
               186           187           188           189           190 
      1   0.386127D+01 -0.145140D+02 -0.836557D+01  0.546592D+01  0.136150D+03
      2  -0.242487D+01  0.130905D+02  0.683893D+01 -0.968599D+01 -0.683559D+02
      3  -0.143639D+01  0.142347D+01  0.152664D+01  0.422007D+01 -0.677940D+02
      4   0.817988D+01 -0.234710D+01  0.110630D+02  0.177597D+02 -0.521570D+00
      5   0.593857D+01  0.328802D+02  0.157596D+02 -0.243969D+01 -0.151216D+01
      6   0.293544D+01  0.169517D+02  0.799334D+01  0.278731D+01 -0.179028D+01
               191           192           193           194           195 
      1   0.186455D+02  0.619117D+01 -0.503572D+02 -0.229350D+02  0.132385D+01
      2  -0.883171D+01 -0.187060D+01  0.434867D+02  0.271850D+02 -0.289497D+01
      3  -0.981376D+01 -0.432057D+01  0.687043D+01 -0.425006D+01  0.157112D+01
      4   0.326070D+02 -0.319731D+01 -0.159280D+02  0.621213D+02 -0.835249D+01
      5  -0.290564D+01 -0.230008D+00  0.395751D+01 -0.756539D+01  0.741350D+00
      6  -0.217651D+01 -0.215088D+01 -0.707147D+01 -0.377517D+01 -0.240860D+01
               196           197           198           199           200 
      1   0.734254D+01  0.632855D+01  0.261337D+02 -0.114112D+03 -0.340424D+01
      2  -0.646324D+01 -0.543659D+01 -0.228585D+02  0.437551D+02 -0.344470D+01
      3  -0.879308D+00 -0.891961D+00 -0.327513D+01  0.703572D+02  0.684894D+01
      4   0.755704D+01 -0.417874D+01 -0.132711D+01 -0.500982D+01 -0.333882D+02
      5   0.510159D+02  0.370517D+01  0.346731D+01 -0.213759D+01  0.764230D+01
      6  -0.229574D+01  0.279800D+01  0.142664D+01  0.702886D+01  0.197807D+00
               201           202           203           204           205 
      1  -0.618567D+01 -0.721017D+02 -0.221250D+01 -0.661194D+01 -0.862256D-01
      2   0.293322D+01  0.436756D+02 -0.116513D+02  0.553746D+01 -0.228531D+01
      3   0.325246D+01  0.284261D+02  0.138638D+02  0.107448D+01  0.237153D+01
      4   0.575492D+01  0.272703D+01 -0.194547D+02 -0.137468D+01  0.181336D+01
      5   0.286036D+01 -0.239877D+01 -0.216195D+01 -0.729712D+01  0.109878D+01
      6   0.511689D+00 -0.899871D+00  0.603298D+01  0.395831D+01 -0.230372D+01
               206           207           208           209           210 
      1   0.232472D+00 -0.212782D+02 -0.114129D+02 -0.267906D+02 -0.187256D+01
      2   0.417538D+01  0.484586D+01  0.336473D+01  0.138633D+02 -0.640122D+00
      3  -0.440786D+01  0.164323D+02  0.804813D+01  0.129273D+02  0.251269D+01
      4  -0.764442D+01 -0.228497D+02 -0.229671D+02  0.967738D+01  0.391290D+00
      5  -0.251269D+02  0.323091D+01  0.185022D+01  0.815735D+00  0.280445D+02
      6   0.171908D+02 -0.112052D+01  0.344666D+00  0.192052D+01  0.250524D+01
               211           212           213           214           215 
      1   0.260096D+01  0.107763D+02 -0.191028D+01 -0.204162D+01 -0.263080D+01
      2  -0.654598D+01 -0.228593D+01  0.159228D+01 -0.582608D-01  0.219941D+01
      3   0.394502D+01 -0.849041D+01  0.318001D+00  0.209988D+01  0.431391D+00
      4   0.353216D+02 -0.214797D+02  0.422349D+01 -0.395736D+01  0.135190D+01
      5  -0.449479D+01  0.250706D+01  0.493167D+01  0.943504D+01 -0.627482D+01
      6   0.176159D+01 -0.513781D+00  0.709622D+01 -0.344955D+01  0.465728D+01
               216           217           218           219           220 
      1  -0.498401D+00 -0.285953D+02  0.503524D+02 -0.501443D+01  0.499507D+02
      2  -0.112518D+00  0.166698D+02 -0.258604D+02  0.289929D+01 -0.224212D+02
      3   0.610919D+00  0.119255D+02 -0.244921D+02  0.211514D+01 -0.275295D+02
      4  -0.708634D+01  0.494760D+02 -0.771825D+01  0.751480D+01 -0.382117D+02
      5   0.380245D+01 -0.585423D+01  0.784682D+01 -0.172680D+02  0.117910D+02
      6  -0.154301D+01  0.300507D+01 -0.201625D+00 -0.252999D+01 -0.270168D+01
               221           222           223           224           225 
      1  -0.148431D+02  0.148609D+02 -0.265904D+01  0.119880D+02 -0.104684D+02
      2   0.854197D+01 -0.664233D+01  0.186531D+00 -0.582270D+01  0.631459D+01
      3   0.630115D+01 -0.821862D+01  0.247251D+01 -0.616533D+01  0.415379D+01
      4  -0.191728D+02 -0.126661D+02  0.980781D+01 -0.862968D+01 -0.471048D+02
      5  -0.117691D+02 -0.685865D+02 -0.328743D+02 -0.484378D+02  0.141005D+02
      6  -0.356660D+01 -0.128500D+02 -0.103921D+02 -0.983462D+01 -0.118786D+01
               226           227           228           229           230 
      1  -0.445743D+01  0.123862D+02 -0.184959D+01  0.245909D+01 -0.497546D+02
      2   0.562564D+01 -0.111752D+02  0.123746D+01 -0.968018D+00  0.633040D+02
      3  -0.116821D+01 -0.121098D+01  0.612137D+00 -0.149107D+01 -0.135495D+02
      4   0.274464D+01  0.495550D+01 -0.608047D-01  0.459393D+01  0.263650D+02
      5  -0.599236D+00  0.109155D+00  0.944918D+00 -0.409663D+00 -0.510918D+01
      6  -0.102782D+01  0.181522D+01 -0.140217D+01 -0.225507D+00 -0.961227D+01
               231           232           233           234           235 
      1   0.551109D+01 -0.751256D+00  0.644561D+01 -0.244218D+01  0.380042D+02
      2  -0.517233D+01  0.512728D+00 -0.707923D+01  0.272037D+01 -0.122069D+02
      3  -0.338756D+00  0.238528D+00  0.633621D+00 -0.278195D+00 -0.257973D+02
      4  -0.303862D+01 -0.582483D-01 -0.294016D+01 -0.848010D+00  0.373503D+02
      5   0.320444D+01  0.153209D+01 -0.162642D+00 -0.659326D-01 -0.145708D+01
      6   0.818487D+01  0.157148D+00  0.361228D+01 -0.169390D+01  0.225638D-01
               236           237           238           239           240 
      1   0.169760D+02  0.751558D+00  0.259465D+02  0.101896D+02  0.748639D-01
      2  -0.216810D+01 -0.269233D+00 -0.252449D+01  0.781979D+01  0.755121D-01
      3  -0.148079D+02 -0.482326D+00 -0.234220D+02 -0.180094D+02 -0.150376D+00
      4   0.263944D+02  0.162695D+00  0.390564D+02  0.380931D+02 -0.720930D+00
      5  -0.120609D+01  0.414156D+01 -0.284365D+01 -0.264123D+01  0.541478D+01
      6  -0.201983D+00  0.219545D+01 -0.126410D+01 -0.900581D+00  0.389950D+01
               241           242           243           244           245 
      1   0.246510D+00  0.828965D-01 -0.122169D+01 -0.197043D+01 -0.525047D+01
      2  -0.926596D+00 -0.608068D+00  0.100930D+01  0.532818D+01 -0.167875D+01
      3   0.680086D+00  0.525172D+00  0.212394D+00 -0.335775D+01  0.692922D+01
      4  -0.126340D+01 -0.167131D+01  0.169700D+01 -0.152115D+02  0.171553D+02
      5  -0.183785D+01  0.137076D+01 -0.652373D+00  0.117355D+01 -0.176907D+01
      6  -0.795494D+00  0.142575D+01 -0.488266D+00 -0.940586D+00  0.128821D+01
               246           247           248           249           250 
      1   0.210765D+00 -0.168153D+01 -0.206172D+02  0.249119D+01 -0.155332D+00
      2   0.182456D+00 -0.826916D+01  0.366498D+02 -0.305267D+01  0.724313D+00
      3  -0.393221D+00  0.995069D+01 -0.160325D+02  0.561482D+00 -0.568981D+00
      4  -0.250985D+01  0.241770D+02 -0.516490D+02  0.595075D+01 -0.339873D+01
      5   0.249861D+01 -0.196390D+01  0.351555D+01 -0.608896D+01  0.218484D+01
      6  -0.143349D+01  0.175844D+01 -0.514925D+01  0.703292D+01 -0.246059D+01
               251           252           253           254           255 
      1   0.172726D+01 -0.147843D+01  0.176823D+02  0.517501D+01 -0.159088D+02
      2  -0.337128D+01  0.269100D+01 -0.946955D+01 -0.230702D+01  0.786377D+01
      3   0.164401D+01 -0.121257D+01 -0.821280D+01 -0.286800D+01  0.804506D+01
      4   0.678088D+01 -0.193030D+01  0.656465D+01  0.499240D+01 -0.694517D+01
      5  -0.667864D+00  0.107498D+01 -0.188249D+02 -0.669729D+01  0.833524D+01
      6   0.305824D+01 -0.176039D+01 -0.271663D+01 -0.861929D+00  0.362253D+00
               256           257           258           259           260 
      1   0.211430D+02  0.112006D+02 -0.955993D+01 -0.516131D+02 -0.107449D+02
      2  -0.105069D+02 -0.363037D+01  0.409306D+01  0.294109D+02  0.528294D+01
      3  -0.106361D+02 -0.757026D+01  0.546686D+01  0.222022D+02  0.546198D+01
      4   0.255804D+02  0.245561D+02 -0.172559D+02 -0.209537D+02 -0.211455D+02
      5  -0.180151D+02 -0.179706D+02  0.301797D+02  0.421810D+02  0.270564D+02
      6  -0.349235D+01 -0.433652D+01  0.742269D+01  0.685011D+01  0.695859D+01
               261           262           263           264           265 
      1   0.164247D+02  0.743690D+01  0.486979D+01  0.133409D+02  0.219854D+02
      2  -0.149098D+02 -0.456602D+01 -0.232037D+01 -0.620820D+01 -0.112054D+02
      3  -0.151493D+01 -0.287088D+01 -0.254942D+01 -0.713268D+01 -0.107800D+02
      4   0.257362D+02  0.490155D+01  0.321426D+01  0.336704D+01  0.292624D+02
      5  -0.609022D+02  0.131608D+02  0.300371D+01  0.243041D+01  0.181943D+02
      6  -0.809670D+01  0.245031D+01  0.114509D+00 -0.404437D+00  0.646971D+01
               266           267           268           269           270 
      1   0.828903D+01  0.397808D+01  0.371179D+02  0.361918D+01  0.747190D+01
      2  -0.135154D+01 -0.264362D+01 -0.215411D+02 -0.278371D+01 -0.115512D+02
      3  -0.693750D+01 -0.133446D+01 -0.155768D+02 -0.835475D+00  0.407931D+01
      4   0.375541D+02  0.265431D+02  0.181865D+02  0.263894D+02  0.300106D+02
      5   0.260827D+02  0.353659D+02  0.342742D+02  0.303934D+02  0.478331D+02
      6   0.989553D+01  0.106476D+02  0.801903D+01  0.100473D+02  0.112795D+02
               271           272           273           274           275 
      1   0.164703D+03 -0.380177D+02  0.135637D+02 -0.779102D+02  0.288414D+02
      2  -0.847575D+02  0.190115D+02 -0.792140D+01  0.389405D+02 -0.128753D+02
      3  -0.799456D+02  0.190062D+02 -0.564227D+01  0.389697D+02 -0.159661D+02
      4  -0.454650D+02  0.233140D+02 -0.419303D+01  0.385296D+02 -0.285349D+02
      5   0.168443D+02 -0.409580D+01  0.180667D+02 -0.822967D+01  0.493946D+01
      6  -0.176279D+01  0.101312D+01 -0.921983D+00  0.177728D+01 -0.129624D+01
               276           277           278           279 
      1  -0.675489D+01  0.171444D+02 -0.438920D+01  0.167594D+02
      2   0.389972D+01 -0.101783D+02  0.255482D+01 -0.985231D+01
      3   0.285517D+01 -0.696614D+01  0.183438D+01 -0.690707D+01
      4   0.510415D+01 -0.519782D+01  0.445383D+01 -0.201246D+01
      5  -0.756694D+01  0.244585D+02 -0.179052D+01  0.554435D+01
      6   0.238411D+01 -0.172672D+01  0.278030D+01 -0.587669D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x         -0.230125D+01     -0.584919D+01     -0.195108D+02
   y         -0.769776D+00     -0.195658D+01     -0.652643D+01
   z          0.694496D+00      0.176523D+01      0.588819D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.285439D+03      0.422977D+02      0.470626D+02
   yx         0.118832D+02      0.176091D+01      0.195927D+01
   yy         0.155815D+03      0.230894D+02      0.256904D+02
   zx         0.111858D+02      0.165757D+01      0.184430D+01
   zy        -0.358322D+01     -0.530979D+00     -0.590794D+00
   zz         0.112258D+03      0.166350D+02      0.185089D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197524D+03      0.292701D+02      0.325674D+02
   aniso      0.172645D+03      0.255834D+02      0.284654D+02
   xx         0.307086D+03      0.455054D+02      0.506316D+02
   yx         0.145525D+02      0.215645D+01      0.239938D+01
   yy         0.166637D+03      0.246931D+02      0.274747D+02
   zx         0.116369D+02      0.172442D+01      0.191867D+01
   zy        -0.382515D+01     -0.566829D+00     -0.630682D+00
   zz         0.118850D+03      0.176118D+02      0.195958D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.18474142         -0.64475023          1.73320729
     6         -0.89168385          1.80444316          1.39979716
     6          1.49703414         -1.78039585         -0.30401038
     6          1.76851855         -0.58177663         -2.58842635
     6          0.68214417          1.85281580         -2.90393461
     6         -0.60032492          3.00314937         -0.98211435
     6         -0.10164506         -1.84112192          4.09613034
     1          2.31690892         -3.63800916         -0.02324774
     1          0.86537182          2.79977219         -4.70865811
     1         -1.42189573          4.85698977         -1.25846649
     6          3.16471701         -1.81286822         -4.75873138
     6          5.47891994         -0.31809767         -5.62567105
     6          1.40379000         -2.39058838         -6.99041565
     1          3.79704348         -3.67520229         -4.10902174
     1          6.43428411         -1.29910205         -7.15995577
     1          6.78732661         -0.07662059         -4.05319479
     1          4.94146559          1.54635404         -6.31559915
     8          1.99870356         -2.21016006         -9.16669750
     8         -0.92231797         -3.24010679         -6.35189942
     1         -1.14704378         -3.11196919         -4.53815731
     6         -1.38137764         -0.70191089          6.04316764
     6         -2.44604284          1.72421561          5.70120588
     6         -2.19755682          2.94369699          3.41382433
     8         -3.73912645          2.97414797          7.53607968
     6         -4.05026501          1.80456196          9.92703246
     1          0.71002919         -3.70004532          4.37110321
     1         -1.56519707         -1.67205958          7.82825949
     1         -3.02459546          4.80010339          3.18624727
     1         -2.22952832          1.44384175         10.83590013
     1         -5.10323373          0.03301542          9.77182786
     1         -5.12482964          3.13365078         11.06673948

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.252401D+01      0.641539D+01      0.213994D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.252401D+01      0.641539D+01      0.213994D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.184504D+03      0.273407D+02      0.304206D+02
   aniso      0.158692D+03      0.235157D+02      0.261648D+02
   xx         0.142035D+03      0.210475D+02      0.234185D+02
   yx        -0.213779D+02     -0.316788D+01     -0.352474D+01
   yy         0.149609D+03      0.221697D+02      0.246672D+02
   zx        -0.579816D+02     -0.859199D+01     -0.955988D+01
   zy         0.850039D+01      0.125963D+01      0.140153D+01
   zz         0.261868D+03      0.388049D+02      0.431763D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197524D+03      0.292701D+02      0.325674D+02
   aniso      0.172645D+03      0.255834D+02      0.284654D+02
   xx         0.150630D+03      0.223211D+02      0.248355D+02
   yx        -0.226177D+02     -0.335160D+01     -0.372915D+01
   yy         0.159276D+03      0.236023D+02      0.262611D+02
   zx        -0.624808D+02     -0.925871D+01     -0.103017D+02
   zy         0.802706D+01      0.118949D+01      0.132348D+01
   zz         0.282667D+03      0.418869D+02      0.466055D+02

 ----------------------------------------------------------------------
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 UNDER MOST GREENE GRASSE LY MOST GREATE SNAKES.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:       0 days  8 hours 16 minutes 29.1 seconds.
 Elapsed time:       0 days  1 hours  2 minutes 13.5 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:38:31 2021.
